SCHEMBL28489759

SCHEMBL28489759

CC1CC(N=C=O)C(C)(C)CC1N=C=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL28504122 0.75 ALDH1A1 (0.36) ALDH1A1CYP3A4
SCHEMBL19994041 0.75
SCHEMBL28300141 0.75
SCHEMBL20164976 0.73 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL10438200 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL19994523 0.73
SCHEMBL27287088 0.69 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL20954097 0.68 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL131862 0.67
SCHEMBL539285 0.66 ALDH1A1 (0.30) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530597-B Ultraviolet-resistant water-curing prepolymer and preparation method and application thereof 南京双威生物医学科技有限公司 2020-11-20 CN disclosed