Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7364005

NCCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2Cc1cccc(NC(=O)CCCN)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
ITGA2 P17301 2/20 0.44
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MPO P05164 1/20 0.36
CCKBR P32239 3/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
MMP13 P45452 1/20 0.34
CCKAR P32238 2/20 0.34
HRH2 P25021 2/20 0.34
POLB P06746 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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 SCHEMBL7357517 1.00 ITGB3 (0.44) ITGB3ITGA2BITGA2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7362872 0.98 ITGB3 (0.43) ITGB3ITGA2BITGA2MEN1KMT2A
SCHEMBL7358065 0.96 ITGB3 (0.37) ITGB3ITGA2BITGA2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7354484 0.93 ITGB3 (0.46) ITGB3ITGA2BITGA2MPOMMP13
Trifluoroacetic Acid SCHEMBL7356213 0.91 ITGB3 (0.44) ITGB3ITGA2BITGA2MMP13HDAC3
SCHEMBL7357668 0.91 KDM4E (0.41) ITGB3ITGA2BITGA2CCKBRTPSAB1
SCHEMBL7357523 0.90 MEN1 (0.35) ITGB3ITGA2BITGA2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL8842940 0.88 ATM (0.41) ITGB3ITGA2BHDAC1HDAC8
SCHEMBL7356598 0.87 ITGB3 (0.36) ITGB3ITGA2BMMP13HRH2HDAC3
Trifluoroacetic Acid SCHEMBL7356143 0.87 ITGB3 (0.39) ITGB3ITGA2BITGA2HDAC3HDAC4

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 4 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
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