Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7233746

CCOC(=O)[C@@H]1C[C@@H](CCCCCC(C)CNC(C)=O)[C@H](N)C1.O=C(O)C(F)(F)F

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.30

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
SCHEMBL7232199 0.82 — —
Hydrochloric Acid SCHEMBL7233626 0.81 SLC6A12 (0.30) —
Trifluoroacetic Acid SCHEMBL7240936 0.74 — —
SCHEMBL7230775 0.68 BTK (0.37) —
SCHEMBL4423884 0.65 GABRR1 (0.32) —
SCHEMBL4416900 0.65 — —
SCHEMBL7236294 0.64 — —
Hydrochloric Acid SCHEMBL4412458 0.64 GABRR1 (0.31) —
SCHEMBL4419137 0.64 — —
SCHEMBL30278792 0.63 MEN1 (0.45) —

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-6562861-B1 (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides BIOCRYST PHARMACEUTICALS, INC. 2003-05-13 — — US disclosed
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