Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7374889

COc1ccc2ccc(S(=O)(=O)N[C@@]3(Cc4ccc5ccc(N)nc5c4)CCNC3=O)cc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.46
NOS3 P29474 1/20 0.41
F10 P00742 6/20 0.37
F2 P00734 7/20 0.36
RAPGEF3 O95398 1/20 0.36
PRSS1 P07477 3/20 0.36
HPGDS O60760 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 SCHEMBL7384671 0.89 NOS1 (0.37) NOS1F10F2RAPGEF3PRSS1
SCHEMBL7382892 0.88 NCF1 (0.43) F10F2RAPGEF3PRSS1HPGDS
Trifluoroacetic Acid SCHEMBL7383810 0.83 NOS1 (0.42) NOS1NOS3F10F2PRSS1
SCHEMBL7384883 0.82 F10 (0.40) F10F2RAPGEF3
Trifluoroacetic Acid SCHEMBL7471306 0.79 F2 (0.41) F10F2RAPGEF3PRSS1HPGDS
Trifluoroacetic Acid SCHEMBL7375646 0.79 RAPGEF3 (0.35) F10F2RAPGEF3PRSS1HPGDS
Trifluoroacetic Acid SCHEMBL7384787 0.79 NOS1 (0.36) NOS1NOS3F10
Trifluoroacetic Acid SCHEMBL7385566 0.78 RAPGEF3 (0.35) F10F2RAPGEF3PRSS1HPGDS
Trifluoroacetic Acid SCHEMBL7424271 0.78 F10 (0.49) F10F2
SCHEMBL7374683 0.78 F10 (0.37) F10F2RAPGEF3

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-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 EP claimed
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 EP claimed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO claimed
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