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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7943646

CC(C)C(NC(=O)[C@@H](N)CC(=O)O)C(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.36

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ S1PR1 P21453 7/20 0.33
▸ S1PR3 Q99500 6/20 0.33
▸ S1PR2 O95136 4/20 0.33
▸ SCN9A Q15858 4/20 0.33
▸ S1PR5 Q9H228 3/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL6975900 0.90 DPP4 (0.42) DPP8DPP4DPP9S1PR1S1PR3
SCHEMBL7943651 0.80 SCN9A (0.34) SCN9A
SCHEMBL10452563 0.79 ENPEP (0.36) DPP8DPP4DPP9
Trifluoroacetic Acid SCHEMBL29617364 0.78 ALDH1A1 (0.45) —
SCHEMBL24270547 0.75 DPP4 (0.44) DPP8DPP4DPP9S1PR1S1PR3
SCHEMBL10801006 0.75 DPP4 (0.44) DPP8DPP4DPP9S1PR1S1PR3
SCHEMBL11119406 0.73 DPP4 (0.43) DPP8DPP4DPP9S1PR1S1PR3
Aspartic Acid SCHEMBL5195305 0.73 GRIK1 (0.45) —
Aspartic Acid SCHEMBL5195309 0.73 GRIK1 (0.45) —
SCHEMBL3785069 0.73 SMN1; SMN2 (0.41) DPP8DPP4DPP9

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
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 — — US disclosed