SCHEMBL9067170

SCHEMBL9067170

C=CCN(O)C(=O)C(=O)NO

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL28558812 0.81 SMN1; SMN2 (0.41) ALDH1A1
SCHEMBL9650957 0.79
SCHEMBL8520120 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8520279 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11767310 0.74 ALDH1A1 (0.38) ALDH1A1
SCHEMBL327516 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8520277 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL11768591 0.71 HDAC2 (0.41) ALDH1A1
SCHEMBL1897643 0.70
SCHEMBL10715503 0.69 ALDH1A1 (0.39) ALDH1A1

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-0326223-B1 Copolymer composition SHELL INT RESEARCH (NL) 1996-05-08 EP claimed
EP-0326223-B1 Copolymer composition SHELL INT RESEARCH (NL) 1996-05-08 EP disclosed
EP-0326223-A2 Copolymer composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-08-02 EP disclosed