Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7328309

Cc1cc(OCCCc2ccc3c(c2)C(=O)N(C(CC(=O)O)c2ccccc2)CC(=O)N3C)nc(N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
BACE1 P56817 3/20 0.32
RXRA P19793 1/20 0.31
MCL1 Q07820 1/20 0.31
GNRHR P30968 2/20 0.31
PTGER4 P35408 1/20 0.31
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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 SCHEMBL7334590 0.92 MEN1 (0.36) MEN1KMT2AITGB3ITGA2BRXRA
Trifluoroacetic Acid SCHEMBL7328777 0.92 MEN1 (0.36) MEN1KMT2AITGB3ITGA2BMCL1
SCHEMBL7328314 0.91 ITGB3 (0.33) MEN1KMT2AITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7332854 0.91 MEN1 (0.36) MEN1KMT2AITGB3ITGA2BMCL1
Trifluoroacetic Acid SCHEMBL7333191 0.90 ITGB3 (0.45) ITGB3ITGA2BBACE1RXRA
Trifluoroacetic Acid SCHEMBL7328919 0.85 MDM2 (0.33) BACE1MCL1
Trifluoroacetic Acid SCHEMBL7332347 0.84 ITGB3 (0.36) ITGB3ITGA2BPTGER4
SCHEMBL7334599 0.83 RXRA (0.31) MEN1KMT2ARXRA
SCHEMBL7328779 0.83 MEN1 (0.30) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7332678 0.83 MEN1 (0.38) MEN1KMT2AITGB3ITGA2BBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed