Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7374306

NC(=O)[C@]1(Cc2ccc3ccc(N)nc3c2)CCNC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 12/20 0.42
NOS3 P29474 3/20 0.42
PLAU P00749 1/20 0.34
MCHR1 Q99705 1/20 0.32
NOS2 P35228 2/20 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
Trifluoroacetic Acid SCHEMBL7373673 0.82 BACE1 (0.32)
Trifluoroacetic Acid SCHEMBL7375613 0.81 NOS1 (0.41) NOS1NOS3PLAU
Trifluoroacetic Acid SCHEMBL7477240 0.80 MAP4K4 (0.36)
Trifluoroacetic Acid SCHEMBL7384787 0.73 NOS1 (0.36) NOS1NOS3PLAU
Trifluoroacetic Acid SCHEMBL7384081 0.72 F10 (0.36) NOS1NOS3
Trifluoroacetic Acid SCHEMBL7374889 0.71 NOS1 (0.46) NOS1NOS3
Trifluoroacetic Acid SCHEMBL7383810 0.71 NOS1 (0.42) NOS1NOS3
Trifluoroacetic Acid SCHEMBL7424271 0.70 F10 (0.49)
SCHEMBL7378469 0.68 CNR1 (0.33)
SCHEMBL7423776 0.67 EPHX1 (0.41)

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 6 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 disclosed
EP-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 EP 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
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