Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL12477882

O=C(NCC(=O)N1CC[C@H](NC2CCC(O)(c3ccc(-c4ccccc4CO)cn3)CC2)C1)c1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.77
KCNH2 Q12809 5/20 0.77

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
SCHEMBL13612986 0.97 CCR2 (0.81) CCR2KCNH2
SCHEMBL13627261 0.97 CCR2 (0.81) CCR2KCNH2
SCHEMBL1378111 0.90 CCR2 (0.89) CCR2KCNH2
SCHEMBL4562891 0.90 CCR2 (0.89) CCR2KCNH2
SCHEMBL1379449 0.89 CCR2 (0.80) CCR2KCNH2
SCHEMBL13613019 0.89 CCR2 (0.80) CCR2KCNH2
SCHEMBL13612984 0.88 CCR2 (0.80) CCR2KCNH2
SCHEMBL13612992 0.88 CCR2 (0.80) CCR2KCNH2
SCHEMBL1378852 0.88 CCR2 (0.80) CCR2KCNH2
SCHEMBL1380452 0.88 CCR2 (0.80) CCR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012114223-A1 A METHOD OF TREATING LIVER FIBROSIS PFIZER LIMITED (GB) 2012-08-30 WO disclosed