Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL2301332

C1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Rh+3]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.39
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
ACHE P22303 2/20 0.32
KCNH2 Q12809 6/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoromethanesulfonic Acid SCHEMBL529510 1.00 GPR3 (0.39) GPR3CA1CA2CA7CA13
Trifluoromethanesulfonic Acid SCHEMBL204687 1.00 GPR3 (0.39) GPR3CA1CA2CA7CA13
Trifluoromethanesulfonic Acid SCHEMBL3682796 1.00 GPR3 (0.39) GPR3CA1CA2CA7CA13
Trifluoromethanesulfonic Acid SCHEMBL9109080 0.94 GPR3 (0.39) GPR3CA1CA2CA7CA13
Trifluoromethanesulfonic Acid SCHEMBL9692462 0.94 GPR3 (0.39) GPR3CA1CA2CA7CA13
Trifluoromethanesulfonic Acid SCHEMBL663145 0.94 GPR3 (0.39) GPR3CA1CA2CA7CA13
Trifluoromethanesulfonic Acid SCHEMBL9692471 0.94 GPR3 (0.39) GPR3CA1CA2CA7CA13
Trifluoromethanesulfonic Acid SCHEMBL663144 0.94 GPR3 (0.39) GPR3CA1CA2CA7CA13
Trifluoromethanesulfonic Acid SCHEMBL29391563 0.94 GPR3 (0.39) GPR3CA1CA2CA7CA13
Trifluoromethanesulfonic Acid SCHEMBL29253571 0.94 GPR3 (0.39) GPR3CA1CA2CA7CA13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558956-B1 N-CYCLOBUTYL-THIAZOL-5-CARBOXAMIDES WITH NEMATICIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2020-10-28 EP disclosed
US-20200087271-A1 N-CYCLOBUTYL-THIAZOL-5-CARBOXAMIDES WITH NEMATICIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2020-03-19 US disclosed
EP-3558956-A1 N-CYCLOBUTYL-THIAZOL-5-CARBOXAMIDES WITH NEMATICIDAL ACTIVITY Syngenta Participations AG (CH) 2019-10-30 EP disclosed
EP-3421455-A1 IMPROVED PROCESS FOR THE PREPARATION OF CHIRAL 3-AMINO-PIPERIDINS, USEFUL INTERMEDIATES FOR THE PREPARATION OF TOFACITINIB F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2019-01-02 EP disclosed
WO-2018114657-A1 N-CYCLOBUTYL-THIAZOL-5-CARBOXAMIDES WITH NEMATICIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2018-06-28 WO disclosed
EP-3319941-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx, LLC (US) 2018-05-16 EP disclosed
EP-3166923-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES Mallinckrodt LLC (US) 2017-05-17 EP disclosed
WO-2017044043-A1 PROCESS FOR DIRECT AMIDATION OF AMINES VIA RH(I)-CATALYZED ADDITION OF BOROXINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-03-16 WO disclosed
WO-2017011231-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT LLC (US) 2017-01-19 WO disclosed
EP-3049396-A1 PROCESS AND INTERMEDIATES FOR PREPARING INDANYLOXYDIHYDROBENZOFURANYL ACETIC ACID DERIVATIVES AS GPR40 AGONISTS Boehringer Ingelheim International GmbH (DE) 2016-08-03 EP disclosed
EP-1320518-A2 PREPARATION OF ENANTIOMERICALLY-ENRICHED CYCLOPROPYLALANINE DERIVATIVES EASTMAN CHEMICAL COMPANY (US) 2003-06-25 EP disclosed
WO-2003014061-A1 METHOD FOR THE PRODUCTION OF AMINES BY REDUCTIVE AMINATION OF CARBONYL COMPOUNDS UNDER TRANSFER-HYDROGENATION CONDITIONS DEGUSSA AG (DE) 2003-02-20 WO disclosed
US-20020065417-A1 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2002-05-30 US disclosed
US-20020049331-A1 Process for the preparation of enantiomerically-enriched cyclopropylalanine derivates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2002-04-25 US disclosed
WO-2002026750-A2 PHOSPHINO-AMINOPHOSPHINES, CATALYST COMPLEXES AND ENANTIOSELECTIVE HYDROGENATION EASTMAN CHEMICAL COMPANY (US) 2002-04-04 WO disclosed
WO-2002026695-A2 PREPARATION OF ENANTIOMERICALLY-ENRICHED CYCLOPROPYLALANINE DERIVATIVES EASTMAN CHEMICAL COMPANY (US) 2002-04-04 WO disclosed
US-6316380-B1 ONE TRANSITION METAL COMPOUND AND AT LEAST ONE N-HETEROCYCLIC CARBENE OR ITS PROTONATED SALT UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION 2001-11-13 US disclosed
WO-2001066248-A2 C-C AND C-N COUPLING CATALYST COMPRISING TRANSITION METAL AND CARBENE UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION (US) 2001-09-13 WO disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020049331-A1 Process for the preparation of enantiomerically-enriched cyclopropylalanine derivates AZI2, PTMS, GNMT GPR3 3524/4885CA1 3877/4885CA2 2647/4885
US-20200087271-A1 N-CYCLOBUTYL-THIAZOL-5-CARBOXAMIDES WITH NEMATICIDAL ACTIVITY TUBA3C, NIT2, TUBB GPR3 908/4885CA1 2671/4885CA2 788/4885
US-20020065417-A1 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds NOTUM, WEE1, WEE2 GPR3 2985/4885CA1 327/4885CA2 267/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.