Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8309328

N#Cc1ccc(Cc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.57
CYP11B2 P19099 8/20 0.57
FNTA P49354 8/20 0.51
FNTB P49356 8/20 0.51
PGGT1B P53609 4/20 0.51

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
SCHEMBL5891899 0.90 CYP11B1 (0.68) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8188315 0.89 CYP11B1 (0.67) CYP11B1CYP11B2FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL8306452 0.85 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL5891741 0.84 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL8184308 0.83 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8227737 0.83 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL5891860 0.82 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL7484728 0.82 CYP11B1 (0.59) CYP11B1CYP11B2FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL7484732 0.82 CYP11B1 (0.61) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL5891901 0.81 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B

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