SCHEMBL6761019

SCHEMBL6761019

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
HTR2A P28223 1/20 0.41
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
LMNA P02545 1/20 0.33
IDO1 P14902 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13924851 1.00 TAAR1 (0.41) TAAR1HTR2ACA1CA2LMNA
SCHEMBL3963217 1.00 TAAR1 (0.41) TAAR1HTR2ACA1CA2LMNA
SCHEMBL2761717 0.98 TAAR1 (0.42) TAAR1HTR2ACA1CA2IDO1
SCHEMBL9340660 0.92 TAAR1 (0.43) TAAR1HTR2AIDO1NPC1HPGD
SCHEMBL3396819 0.81 CA1 (0.39) TAAR1CA1CA2
SCHEMBL18421431 0.81 CA2 (0.33) CA1CA2
SCHEMBL30891617 0.81 GFER (0.46) TAAR1CA1CA2
SCHEMBL12727813 0.81 CYP1A2 (0.41) TAAR1CA1CA2IDO1NPC1
SCHEMBL3426890 0.81 CA2 (0.35) CA1CA2
SCHEMBL12971204 0.81 CA1 (0.33) CA1CA2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638643-B1 PROCESS FOR THE PREPARATION OF SEMIFLUORINATED ALKANES USING GRIGNARD REAGENTS NOVALIQ GMBH (DE) 2023-01-18 EP disclosed
US-20200339492-A1 PROCESS FOR THE PREPARATION OF SEMIFLUORINATED ALKANES USING GRIGNARD REAGENTS NOVALIQ GMBH (DE) 2020-10-29 US disclosed
EP-3638643-A1 PROCESS FOR THE PREPARATION OF SEMIFLUORINATED ALKANES USING GRIGNARD REAGENTS Novaliq GmbH (DE) 2020-04-22 EP disclosed
WO-2018228975-A1 PROCESS FOR THE PREPARATION OF SEMIFLUORINATED ALKANES USING GRIGNARD REAGENTS NOVALIQ GMBH (DE) 2018-12-20 WO disclosed
US-6727390-B2 INCREASING FLUOROUS NATURE OF A COMPOUND BY REACTING THE COMPOUND WITH OR TAGGING THE COMPOUND WITH FLUOROUS PHOSPHINES AND PHOSPHINE OXIDES UNIVERSITY OF PITTSBURGH 2004-04-27 US disclosed
US-20020183521-A1 Fluorous phosphines and phosphine oxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-05 US disclosed
WO-2002081486-A1 FLUOROUS PHOSPHINES AND PHOSPHINE OXIDES UNIVERSITY OF PITTSBURGH (US) 2002-10-17 WO disclosed
EP-0959987-B1 USE OF PERFLUOROALKYL SUBSTITUTED PHOSPHORUS COMPOUNDS AS LIGANDS FOR HOMOGENEOUS CATALYSIS IN SUPERCRITICAL CARBON DIOXIDE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2001-08-08 EP disclosed
EP-0959987-A1 USE OF PERFLUOROALKYL SUBSTITUTED PHOSPHORUS COMPOUNDS AS LIGANDS FOR HOMOGENEOUS CATALYSIS IN SUPERCRITICAL CARBON DIOXIDE Studiengesellschaft Kohle mbH (DE) 1999-12-01 EP disclosed
WO-1998032533-A1 USE OF PERFLUOROALKYL SUBSTITUTED PHOSPHORUS COMPOUNDS AS LIGANDS FOR HOMOGENEOUS CATALYSIS IN SUPERCRITICAL CARBON DIOXIDE STUDIENGESELLSCHAFT KOHLE MBH (DE) 1998-07-30 WO 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 (2 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-20020183521-A1 Fluorous phosphines and phosphine oxides PFAS, AFF1, AFF2 TAAR1 158/4885HTR2A 4043/4885CA1 3259/4885
US-20200339492-A1 PROCESS FOR THE PREPARATION OF SEMIFLUORINATED ALKANES USING GRIGNARD REAGENTS FLI1, AFF2, GTF2I TAAR1 1176/4885HTR2A 3796/4885CA1 2461/4885

“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.