Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7414635

NC(=O)[C@@H]1CCN(Cc2cc3c(N)nccc3cc2N)C1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.47
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
F9 P00740 7/20 0.36
ROCK1 Q13464 3/20 0.35
ROCK2 O75116 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
F2 P00734 1/20 0.34

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 SCHEMBL6222162 1.00 F10 (0.47) F10HRH4HRH3F9ROCK1
Trifluoroacetic Acid SCHEMBL7453367 1.00 F10 (0.47) F10HRH4HRH3F9ROCK1
SCHEMBL6221898 0.93 F10 (0.52) F10F9ROCK1ROCK2KCNH2
Trifluoroacetic Acid SCHEMBL7453374 0.90 F10 (0.49) F10HRH4HRH3F9ROCK1
Trifluoroacetic Acid SCHEMBL6222163 0.90 F10 (0.49) F10HRH4HRH3F9ROCK1
Trifluoroacetic Acid SCHEMBL7214390 0.89 F10 (0.41) F10F9F2
Trifluoroacetic Acid SCHEMBL7213595 0.86 F10 (0.47) F10DPP4DPP7F2
Trifluoroacetic Acid SCHEMBL7214503 0.86 F10 (0.47) F10ROCK1ROCK2KCNH2F2
Trifluoroacetic Acid SCHEMBL7213654 0.86 F10 (0.47) F10DPP4DPP7F2
SCHEMBL7215939 0.84 F10 (0.43) F10ROCK1ROCK2KCNH2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP claimed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US claimed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP claimed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO claimed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed