Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7986567

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)c1ccc(C(=N)N)cc1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
FPR1 P21462 6/20 0.41
FPR2 P25090 6/20 0.41
HCRTR2 O43614 3/20 0.40
KDM1A O60341 1/20 0.40
KMT2A Q03164 1/20 0.39
ADORA1 P30542 1/20 0.39
HCRTR1 O43613 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
Trifluoroacetic Acid SCHEMBL7975354 0.92 ITGB3 (0.49) ITGB3ITGA2BFPR1FPR2HCRTR2
Trifluoroacetic Acid SCHEMBL7986493 0.92 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7975791 0.92 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7974814 0.92 ITGB3 (0.48) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL8123335 0.90 ITGB3 (0.47) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7985201 0.89 ITGB3 (0.47) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7975986 0.89 ITGB3 (0.46) ITGB3ITGA2BFPR2HCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7985628 0.89 ITGB3 (0.46) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL8133864 0.89 ITGB3 (0.55) ITGB3ITGA2BHCRTR2KMT2AADORA1
SCHEMBL7989240 0.88 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AADORA1

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed