Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7214503

NC(=O)[C@@H]1CCN(Cc2ccc3c(N)nccc3c2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
KLKB1 P03952 12/20 0.41
ROCK1 Q13464 4/20 0.40
F2 P00734 1/20 0.40
KLK1 P06870 5/20 0.40
ROCK2 O75116 1/20 0.39
KCNH2 Q12809 1/20 0.39

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 SCHEMBL7213595 0.93 F10 (0.47) F10KLKB1F2
Trifluoroacetic Acid SCHEMBL7213654 0.93 F10 (0.47) F10KLKB1F2
Hydrochloric Acid SCHEMBL6437092 0.92 F10 (0.51) F10KLKB1ROCK1F2KLK1
Trifluoroacetic Acid SCHEMBL7214506 0.89 F10 (0.46) F10KLKB1ROCK1F2KLK1
Trifluoroacetic Acid SCHEMBL7453367 0.86 F10 (0.47) F10ROCK1F2ROCK2KCNH2
Trifluoroacetic Acid SCHEMBL7414635 0.86 F10 (0.47) F10ROCK1F2ROCK2KCNH2
Trifluoroacetic Acid SCHEMBL6222162 0.86 F10 (0.47) F10ROCK1F2ROCK2KCNH2
SCHEMBL23752546 0.85 F10 (0.52) F10KLKB1F2KLK1
SCHEMBL6222403 0.85 F10 (0.52) F10KLKB1F2KLK1
Trifluoroacetic Acid SCHEMBL7923391 0.85 MET (0.40) F10F2KCNH2

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
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US claimed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
EP-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 EP disclosed
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 EP disclosed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO disclosed