Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7275530

NCCCCc1ccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCCc2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
SSTR5 P35346 2/20 0.37
CPB2 Q96IY4 1/20 0.36
HRH2 P25021 3/20 0.36
S1PR1 P21453 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 2/20 0.35
ITGB2 P05107 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
ITGAL P20701 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 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
SCHEMBL7274755 0.95 FFAR1 (0.41) FFAR1SSTR5S1PR1ITGB3ITGA2B
SCHEMBL7284926 0.93 FFAR1 (0.41) FFAR1SSTR5S1PR1ITGB3ITGA2B
SCHEMBL7284295 0.92 S1PR1 (0.40) FFAR1SSTR5S1PR1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7274706 0.92 FFAR1 (0.40) FFAR1SSTR5S1PR1ITGB3ITGA2B
SCHEMBL7272371 0.91 FFAR1 (0.41) FFAR1SSTR5S1PR1ITGB3ITGA2B
SCHEMBL7274052 0.90 FFAR1 (0.43) FFAR1S1PR1ITGB3ITGA2BS1PR3
SCHEMBL7280816 0.90 SSTR5 (0.43) FFAR1SSTR5
Water SCHEMBL7277736 0.89 SIGMAR1 (0.41) FFAR1SSTR5S1PR1S1PR3S1PR5
SCHEMBL7280302 0.88 ALDH1A1 (0.40) FFAR1SSTR5S1PR1S1PR3S1PR5
SCHEMBL7276162 0.87 FFAR1 (0.41) FFAR1S1PR1ITGB3ITGA2BS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed