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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3654346

CC1CCC[N+]1(c1ccc(NC(=O)c2ccccc2N(C)C)cc1)C1CCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34

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 SCHEMBL3657521 0.89 MEN1 (0.42) —
Trifluoroacetic Acid SCHEMBL3653624 0.85 KDM4E (0.40) —
Trifluoroacetic Acid SCHEMBL3652805 0.82 KDM4E (0.41) —
Trifluoroacetic Acid SCHEMBL3654963 0.82 — —
Trifluoroacetic Acid SCHEMBL3656579 0.82 BCL9 (0.37) —
Trifluoroacetic Acid SCHEMBL3653109 0.81 RAB9A (0.45) —
Trifluoroacetic Acid SCHEMBL3659571 0.81 RAB9A (0.45) —
Trifluoroacetic Acid SCHEMBL3655787 0.80 MLYCD (0.46) —
Trifluoroacetic Acid SCHEMBL3650317 0.79 EPHX2 (0.43) —
Trifluoroacetic Acid SCHEMBL3657679 0.79 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-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 — — EP disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 — — WO disclosed