Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4700529

CCCN(Cc1nccs1)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.41
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
F2 P00734 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL4700550 0.92 CRHR1 (0.48) CRHR1
Trifluoroacetic Acid SCHEMBL4698530 0.87 CRHR1 (0.42) CRHR1TRPM8
Trifluoroacetic Acid SCHEMBL4703705 0.86 CRHR1 (0.55) CRHR1
Trifluoroacetic Acid SCHEMBL4697895 0.83 CRHR1 (0.42) CRHR1
Trifluoroacetic Acid SCHEMBL4698436 0.82 CRHR1 (0.44) CRHR1
Trifluoroacetic Acid SCHEMBL4702926 0.81 CRHR1 (0.55) CRHR1
Trifluoroacetic Acid SCHEMBL4702266 0.81 CRHR1 (0.46) CRHR1
SCHEMBL4701741 0.78 CRHR1 (0.60) CRHR1
SCHEMBL4757559 0.78 CRHR1 (0.49) CRHR1
SCHEMBL4702269 0.78 CRHR1 (0.64) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP claimed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO claimed
EP-1971580-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-09-24 EP disclosed
EP-1971581-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-09-24 EP disclosed
WO-2007077201-A9 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-07-31 WO disclosed
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
WO-2007077247-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2007-07-12 WO disclosed
WO-2007077201-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2007-07-12 WO disclosed