Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL466686

O=C(O)C(F)(F)F.Oc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
CA3 P07451 2/20 0.58
CA4 P22748 2/20 0.58
CA14 Q9ULX7 2/20 0.58
GLA P06280 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.46
MMP3 P08254 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL25326318 1.00 CA12 (0.58) CA12CA1CA2CA9CA3
Trifluoroacetic Acid SCHEMBL5776611 1.00 CA12 (0.58) CA12CA1CA2CA9CA3
Trifluoroacetic Acid SCHEMBL30260008 1.00 CA12 (0.58) CA12CA1CA2CA9CA3
Hydroquinone SCHEMBL27638163 0.89 CA2 (0.50) CA12CA1CA2CA9CA3
Phenol SCHEMBL27815365 0.87 CA12 (0.55) CA12CA1CA2CA9CA3
Phenol SCHEMBL81020 0.87 CA12 (0.55) CA12CA1CA2CA9CA3
Trifluoroacetic Acid SCHEMBL5571447 0.87 CA12 (0.44) CA12CA1CA2CA9CA3
Resorcinol SCHEMBL11567030 0.85 ALDH1A1 (0.57) CA12CA1CA2CA9CA14
Trifluoroacetamide SCHEMBL2766693 0.85 TDP1 (0.52) CA12CA1CA2CA9CA3
Catechol SCHEMBL9330300 0.84 CA2 (0.53) CA12CA1CA2CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107056730-B A kind of synthetic method and its application of bupropion hydrochloride sustained release tablets impurity isomers 浙江普洛家园药业有限公司 2019-05-24 CN claimed
CN-107056730-A A kind of synthetic method of bupropion hydrochloride sustained release tablets impurity isomers and its application 浙江普洛家园药业有限公司 2017-08-18 CN claimed
US-7459550-B2 Process for the preparation of Cefditoren ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2008-12-02 US claimed
CN-100343259-C Process for the preparation of 3-propenyl cephalosporin DMF solvate ORCHID CHEMICALS & PHARM LTD (IN) 2007-10-17 CN claimed
CN-1856461-A Cycloalkylene compounds as estrogen receptor modulators SMITHKLINE BEECHAM CORP (US) 2006-11-01 CN claimed
EP-1562957-B1 PROCESS FOR THE PREPARATION OF 3-PROPENYL CEPHALOSPORIN DMF SOLVATE ORCHID CHEMICALS & PHARM LTD (IN) 2006-09-13 EP claimed
US-20060173175-A1 Process for the preparation of cefditoren ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2006-08-03 US claimed
CN-1694888-A Process for the preparation of 3-propenyl cephalosporin DMF solvate ORCHID CHEMICALS & PHARM LTD (IN) 2005-11-09 CN claimed
EP-1562957-A1 PROCESS FOR THE PREPARATION OF 3-PROPENYL CEPHALOSPORIN DMF SOLVATE Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-08-17 EP claimed
US-6903211-B2 Process for the preparation of 3-propenyl cephalosporin DMF solvate ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-06-07 US claimed
EP-1501839-A2 PROCESS FOR THE PREPARATION OF CEFTIOFUR ACID Orchid Chemicals & Pharmaceuticals Ltd. (IN) 2005-02-02 EP claimed
WO-2005003141-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF CEFDITOREN ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2005-01-13 WO claimed
US-6800756-B2 CONDENSATION; CYCLIZATION ORCHID CHEMICALS AND PHARMACEUTICALS, LTD. (IN) 2004-10-05 US claimed
WO-2004083216-A1 A PROCESS FOR THE PREPARATION OF CEPHALOSPORINS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-09-30 WO claimed
US-20040132995-A1 Process for the preparation of cephalosporins ORCHID CHEMICALS & PHARMACEUTICALS, LTD. (IN) 2004-07-08 US claimed
WO-2004039812-A1 PROCESS FOR THE PREPARATION OF 3-PROPENYL CEPHALOSPORIN DMF SOLVATE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-05-13 WO claimed
US-20040087786-A1 Process for the preparation of 3-propenyl cephalosporin DMF solvate ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-05-06 US claimed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 WO claimed
US-20030216567-A1 New method for the preparation of ceftiofur sodium and its intermediates ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2003-11-20 US claimed
WO-2003093278-A2 PROCESS FOR THE PREPARATION OF CEFTIOFUR ACID ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2003-11-13 WO claimed

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

For each of this compound's patents that has machine-readable text (4 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-20040087786-A1 Process for the preparation of 3-propenyl cephalosporin DMF solvate CYP2F1, PEF1, CYP4Z1 CA12 3018/4885CA1 2411/4885CA2 3170/4885
US-20030216567-A1 New method for the preparation of ceftiofur sodium and its intermediates BLVRB, CBR1, DCXR CA12 1510/4885CA1 2801/4885CA2 482/4885
US-20060173175-A1 Process for the preparation of cefditoren DHPS, FDPS, CYP4F2 CA12 2125/4885CA1 2475/4885CA2 2643/4885
US-20040132995-A1 Process for the preparation of cephalosporins CYP2F1, CYP7A1, MRPL21 CA12 2377/4885CA1 3801/4885CA2 3291/4885

“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.