Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7338643

CC(C)(C)OC(=O)C[N@+]1(C)CC[C@H](N2CCN(c3ccc(C(=N)N)cc3)CC2)CC1.O=C([O-])C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.48
ITGA2B P08514 11/20 0.48
ALOX15 P16050 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR119 Q8TDV5 2/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
TMPRSS6 Q8IU80 2/20 0.38
ST14 Q9Y5Y6 2/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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 SCHEMBL7337569 1.00 ITGB3 (0.48) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7337566 1.00 ITGB3 (0.48) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7337902 0.94 ITGB3 (0.53) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7337907 0.94 ITGB3 (0.53) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7337896 0.90 GPR119 (0.48) ITGB3ITGA2BGPR119F2PRSS1
Trifluoroacetic Acid SCHEMBL7337888 0.90 GPR119 (0.48) ITGB3ITGA2BGPR119F2PRSS1
Trifluoroacetic Acid SCHEMBL7339210 0.88 ITGB3 (0.57) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7342546 0.88 ITGB3 (0.57) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7339218 0.88 ITGB3 (0.57) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7344123 0.88 ITGB3 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed