SCHEMBL8914558

SCHEMBL8914558

COC(=O)[C@H]1[C@H](NC(C)=O)C(=O)O[C@@H]1C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
NAAA Q02083 1/20 0.38

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
SCHEMBL8916265 0.84 NAAA (0.38) NAAA
SCHEMBL9431855 0.81 CYP2D6 (0.39) CYP2D6NAAA
SCHEMBL22618553 0.80 NAAA (0.49) NAAA
SCHEMBL13502342 0.77 NAAA (0.40) NAAA
SCHEMBL20321645 0.77 NAAA (0.40) NAAA
SCHEMBL5346846 0.75 CYP2D6 (0.44) CYP2D6NAAA
SCHEMBL9431869 0.73 CYP2D6 (0.38) CYP2D6
Hydrochloric Acid SCHEMBL8917378 0.72 CYP2D6 (0.42) CYP2D6NAAA
Hydrochloric Acid SCHEMBL8916228 0.72 CYP2D6 (0.42) CYP2D6NAAA
Hydrochloric Acid SCHEMBL8918371 0.72 CYP2D6 (0.42) CYP2D6NAAA

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
US-5625059-A Process for the manufacture of 4-acetoxy-3-hydroxyethyl-azetidinone CIBA-GEIGY CORPORATION (US) 1997-04-29 US disclosed
US-5312914-A Process for the manufacture of 4-acetoxy-3-hydroxyethyl-azetidinone CIBA-GEIGY CORP (US) 1994-05-17 US disclosed
EP-0279781-A2 Process for the preparation of 4-acetoxy-3-hydroxyethyl-acetidinone CIBA-GEIGY AG (CH) 1988-08-24 EP disclosed