Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7334802

N=C(N)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.87
ITGA2B P08514 15/20 0.87
ALOX15 P16050 1/20 0.85
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
TMPRSS6 Q8IU80 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44

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
SCHEMBL6839445 0.93 ITGB3 (1.00) ITGB3ITGA2BALOX15F2PRSS1
Hydrochloric Acid SCHEMBL8431411 0.91 ALOX15 (0.98) ITGB3ITGA2BALOX15F2PRSS1
Trifluoroacetic Acid SCHEMBL7341381 0.88 ITGB3 (0.68) ITGB3ITGA2BALOX15F2PRSS1
Trifluoroacetic Acid SCHEMBL7342483 0.85 ITGB3 (0.63) ITGB3ITGA2BALOX15F2
Trifluoroacetic Acid SCHEMBL7347536 0.85 ITGB3 (0.63) ITGB3ITGA2BALOX15F2PRSS1
Trifluoroacetic Acid SCHEMBL7340646 0.85 ITGB3 (0.63) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7339460 0.85 ITGB3 (0.63) ITGB3ITGA2BALOX15
SCHEMBL7336167 0.85 ITGB3 (0.69) ITGB3ITGA2BALOX15F2PRSS1
Trifluoroacetic Acid SCHEMBL9372077 0.84 ITGB3 (0.62) ITGB3ITGA2BALOX15F2PRSS1
Trifluoroacetic Acid SCHEMBL7345194 0.84 ITGB3 (0.62) ITGB3ITGA2BALOX15MEN1KMT2A

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-5847148-A Thiadiazole derivatives useful for the treatment of diseases related to connective tissue degradation PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 US disclosed
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed