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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5701088

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)c3cccnc3)cc2)ccc1NC(=O)Nc1ccccc1C.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 16/20 0.62
▸ ITGA4 P13612 16/20 0.62
▸ ITGB7 P26010 1/20 0.46
▸ CTSA P10619 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL5700783 0.96 ITGB1 (0.68) ITGB1ITGA4ITGB7CTSAMEN1
SCHEMBL5700770 0.96 ITGB1 (0.68) ITGB1ITGA4ITGB7CTSAMEN1
SCHEMBL5701090 0.91 ITGB1 (0.55) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700873 0.90 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700866 0.90 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700767 0.89 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700774 0.89 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7425997 0.89 ITGB1 (0.57) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7387410 0.88 ITGB1 (0.69) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700895 0.85 ITGA4 (0.72) ITGB1ITGA4ITGB7MEN1KMT2A

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
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 — — EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 — — US disclosed