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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8309330

N#Cc1ccc(Cc2cnc(Cc3ccc(-c4ccccc4)cc3)[nH]2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 12/20 0.61
▸ F11 P03951 1/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ EP300 Q09472 2/20 0.43
▸ S1PR1 P21453 1/20 0.41
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ FAAH O00519 2/20 0.39
▸ CES1 P23141 1/20 0.39
▸ NCEH1 Q6PIU2 1/20 0.39

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
SCHEMBL7919393 0.90 BRS3 (0.62) BRS3EP300
Hydrochloric Acid SCHEMBL8521500 0.89 BRS3 (0.61) BRS3EP300
Trifluoroacetic Acid SCHEMBL8521801 0.85 BRS3 (0.46) BRS3F11KLKB1EP300S1PR1
SCHEMBL8106516 0.83 KIF11 (0.54) BRS3
SCHEMBL7924356 0.83 BRS3 (0.72) BRS3
Hydrochloric Acid SCHEMBL8311538 0.82 KIF11 (0.52) BRS3
SCHEMBL8097324 0.82 BRS3 (0.48) BRS3
Hydrochloric Acid SCHEMBL8309282 0.82 BRS3 (0.71) BRS3
SCHEMBL8308371 0.81 BRS3 (0.56) BRS3EP300
Hydrochloric Acid SCHEMBL8306295 0.81 BRS3 (0.47) BRS3

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-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 — — EP disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 — — WO disclosed