Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8459490

NCCCOc1ccc(C(=O)OC(=O)C[C@@H](N)NS(=O)(=O)c2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.55
ITGA2B P08514 16/20 0.55
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ITGAV P06756 1/20 0.42

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
Hydrochloric Acid SCHEMBL7488066 0.88 ITGB3 (0.59) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL7495249 0.87 ITGB3 (0.43) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7484657 0.83 ITGB3 (0.48) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7487574 0.82 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7488464 0.81 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7399198 0.81 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL8458587 0.81 SLC1A3 (0.47) ITGB3ITGA2BCA12CA9
SCHEMBL7398725 0.80 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7399762 0.80 ITGB3 (0.50) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7494945 0.80 ITGB3 (0.44) ITGB3ITGA2BCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929120-A Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1999-07-27 US disclosed
US-5741796-A Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1998-04-21 US disclosed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP disclosed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO disclosed