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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5554068

CC(C)CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.62

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 0.62
▸ KCNH2 Q12809 6/20 0.61
▸ CCR5 P51681 3/20 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
Trifluoroacetic Acid SCHEMBL4424196 0.88 CCR2 (0.81) CCR2KCNH2CCR5
SCHEMBL5554040 0.86 CCR2 (0.64) CCR2KCNH2CCR5
Trifluoroacetic Acid SCHEMBL5559158 0.86 CCR2 (0.63) CCR2KCNH2CCR5
SCHEMBL4413791 0.86 CCR2 (0.84) CCR2KCNH2CCR5
SCHEMBL4413783 0.86 CCR2 (0.84) CCR2KCNH2CCR5
SCHEMBL4413788 0.86 CCR2 (0.84) CCR2KCNH2CCR5
SCHEMBL4417195 0.83 CCR2 (0.78) CCR2KCNH2CCR5
SCHEMBL4413656 0.83 CCR2 (0.78) CCR2KCNH2CCR5
Trifluoroacetic Acid SCHEMBL4413601 0.83 CCR2 (0.77) CCR2KCNH2CCR5
SCHEMBL5553802 0.83 CCR2 (0.70) CCR2KCNH2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 — — EP disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 — — EP disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 — — WO disclosed