Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7437183

COC(=O)C(c1ccccc1OC)N1CCC(N2CCN(c3ccc(C(=N)N)cc3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.48

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 6/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TACR1 P25103 5/20 0.40
CHRM4 P08173 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
C5AR1 P21730 1/20 0.38

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
SCHEMBL7441454 0.94 ITGB3 (0.52) ITGB3ITGA2BKDM4EALDH1A1ALOX15
Trifluoroacetic Acid SCHEMBL7441166 0.93 ITGB3 (0.50) ITGB3ITGA2BKDM4EALDH1A1ALOX15
Trifluoroacetic Acid SCHEMBL7447945 0.90 ITGB3 (0.52) ITGB3ITGA2BKDM4EALDH1A1ALOX15
SCHEMBL7431981 0.88 ITGB3 (0.55) ITGB3ITGA2BKDM4EALDH1A1ALOX15
SCHEMBL7435197 0.84 KDM4E (0.48) ITGB3ITGA2BKDM4EALDH1A1ALOX15
SCHEMBL7435192 0.84 KDM4E (0.48) ITGB3ITGA2BKDM4EALDH1A1ALOX15
SCHEMBL7434995 0.84 ITGB3 (0.57) ITGB3ITGA2BKDM4EALDH1A1ALOX15
Trifluoroacetic Acid SCHEMBL7442158 0.81 ITGB3 (0.56) ITGB3ITGA2BKDM4EALDH1A1ALOX15
Trifluoroacetic Acid SCHEMBL7437557 0.81 ITGB3 (0.52) ITGB3ITGA2BKDM4EALDH1A1ALOX15
SCHEMBL7444145 0.81 ITGB3 (0.53) ITGB3ITGA2BKDM4EALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed