SCHEMBL11079667

SCHEMBL11079667

NC(C(F)F)C(F)(F)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 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
SCHEMBL11196601 0.78
SCHEMBL719463 0.72 ALDH1A1 (0.32)
SCHEMBL128482 0.71
SCHEMBL5288286 0.70 ALDH1A1 (0.44)
SCHEMBL28804484 0.69 PKM (0.39) ODC1
Hydrochloric Acid SCHEMBL16600366 0.69 PKM (0.39) ODC1
SCHEMBL9069392 0.69 PKM (0.39) ODC1
Ammonia Solution, Strong SCHEMBL29007565 0.69 PKM (0.39) ODC1
SCHEMBL1372401 0.69 PKM (0.39) ODC1
SCHEMBL28216786 0.69 PKM (0.39) ODC1

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-0046711-B1 FLUORINATED AMINO-BUTYRIC ACID AND DIAMINOBUTANE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1984-09-05 EP disclosed
US-4418077-A INHIBITORS OF GAMMA-AMINOBUTYRIC ACID TRANSAMINASE MERRELL TORAUDE ET COMPAGNIE (FR) 1983-11-29 US disclosed
EP-0046711-A1 Fluorinated amino-butyric acid and diaminobutane derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 EP disclosed