Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6470783

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1Cc1cnc(CNC(=O)CN)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.48
P2RX7 Q99572 1/20 0.38
CARM1 Q86X55 1/20 0.36

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
SCHEMBL6474571 0.89 MAPK14 (0.51) MAPK14P2RX7
SCHEMBL6473011 0.85 MAPK14 (0.45) MAPK14P2RX7
Hydrochloric Acid SCHEMBL6472925 0.83 MAPK14 (0.48) MAPK14P2RX7CARM1
SCHEMBL6471639 0.81 MAPK14 (0.43) MAPK14
Trifluoroacetic Acid SCHEMBL6503504 0.79 MAPK14 (0.65) MAPK14
SCHEMBL6471522 0.78 MAPK14 (0.42) MAPK14P2RX7
SCHEMBL6471941 0.78 MAPK14 (0.46) MAPK14
SCHEMBL6471656 0.78 MAPK14 (0.40) MAPK14
SCHEMBL6471439 0.78 MAPK14 (0.40) MAPK14
SCHEMBL6471710 0.78 MAPK14 (0.41) MAPK14

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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO claimed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed