SCHEMBL28828867

SCHEMBL28828867

CC1CC(C)C(N=C=O)C(N=C=O)C1C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL8007242 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8007238 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7677482 0.74 ALDH1A1 (0.41) ALDH1A1
SCHEMBL28012035 0.74
SCHEMBL3104247 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL539189 0.71
SCHEMBL16701153 0.71
SCHEMBL11426532 0.70 ALDH1A1 (0.40) ALDH1A1
SCHEMBL29124327 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL14424333 0.69 ALDH1A1 (0.32) 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-114846107-A Polyurethane hot melt adhesive composition and method for preparing same 汉高股份有限及两合公司 2022-08-02 CN disclosed