Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7500212

CC(N)C(=O)O.NC(CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OCc3ccccc3)CC2)C1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.60
ITGA2B P08514 12/20 0.60
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
F2R P25116 7/20 0.46
KMT2A Q03164 1/20 0.45
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40

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 SCHEMBL7747731 0.97 ITGB3 (0.63) ITGB3ITGA2BHTTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7500055 0.88 ITGB3 (0.60) ITGB3ITGA2BHTTSMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL7500215 0.88 ITGB3 (0.54) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7500524 0.86 ITGB3 (0.59) ITGB3ITGA2BHTTSMN1; SMN2NPC1
SCHEMBL7505296 0.84 ITGB3 (0.62) ITGB3ITGA2BHTTSMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL7747734 0.83 ITGB3 (0.58) ITGB3ITGA2BF2R
SCHEMBL7446986 0.82 ITGB3 (0.73) ITGB3ITGA2BHTTSMN1; SMN2NPC1
SCHEMBL7504164 0.82 ITGB3 (0.74) ITGB3ITGA2BHTTSMN1; SMN2NPC1
SCHEMBL7508377 0.80 ITGB3 (0.65) ITGB3ITGA2BHTTSMN1; SMN2NPC1
SCHEMBL7500565 0.80 ITGB3 (0.72) ITGB3ITGA2BHTTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed