Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7362872

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
ITGA2 P17301 2/20 0.43
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP13 P45452 1/20 0.35
CCKBR P32239 3/20 0.34
HRH2 P25021 3/20 0.34
CCKAR P32238 2/20 0.34
TPSAB1 Q15661 2/20 0.34
MMP7 P09237 1/20 0.34
MMP10 P09238 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
HSPH1 Q92598 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
LMNA P02545 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 SCHEMBL7364005 0.98 ITGB3 (0.44) ITGB3ITGA2BITGA2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7357517 0.98 ITGB3 (0.44) ITGB3ITGA2BITGA2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7356213 0.93 ITGB3 (0.44) ITGB3ITGA2BITGA2MMP13MMP7
SCHEMBL7358065 0.93 ITGB3 (0.37) ITGB3ITGA2BITGA2MEN1KMT2A
SCHEMBL7357668 0.91 KDM4E (0.41) ITGB3ITGA2BITGA2MMP13CCKBR
Trifluoroacetic Acid SCHEMBL7354484 0.90 ITGB3 (0.46) ITGB3ITGA2BITGA2MMP13MMP7
Trifluoroacetic Acid SCHEMBL8842940 0.88 ATM (0.41) ITGB3ITGA2B
SCHEMBL7356598 0.88 ITGB3 (0.36) ITGB3ITGA2BMMP13HRH2
SCHEMBL7357523 0.87 MEN1 (0.35) ITGB3ITGA2BITGA2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7353881 0.87 ITGB3 (0.38) ITGB3ITGA2BITGA2

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 5 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
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
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