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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3660920

Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N+]1(C2CCNC2)CCCC1C.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.38
▸ JAK3 P52333 2/20 0.35
▸ FPR1 P21462 2/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ P2RY1 P47900 1/20 0.33

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
SCHEMBL3657582 0.94 HRH3 (0.41) HRH3JAK3P2RY1
Trifluoroacetic Acid SCHEMBL3650438 0.89 — —
Trifluoroacetic Acid SCHEMBL3660055 0.85 HRH3 (0.39) HRH3JAK3
Trifluoroacetic Acid SCHEMBL3705581 0.84 KDM4E (0.40) —
Trifluoroacetic Acid SCHEMBL3653647 0.84 KMT2A (0.45) —
Trifluoroacetic Acid SCHEMBL3657860 0.83 RAB9A (0.39) —
Trifluoroacetic Acid SCHEMBL3657956 0.82 HRH3 (0.44) HRH3JAK3
Trifluoroacetic Acid SCHEMBL3656237 0.82 MLYCD (0.41) —
Trifluoroacetic Acid SCHEMBL3652245 0.82 NPC1 (0.39) —
Trifluoroacetic Acid SCHEMBL3656228 0.82 RAB9A (0.46) —

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-2215058-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-11 — — EP disclosed
WO-2009052068-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 — — WO disclosed