SCHEMBL29011963

SCHEMBL29011963

N=C=O.N=C=O.NC(N)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9618005 0.84 THRB (0.33) ALDH1A1
SCHEMBL27227 0.84 THRB (0.33) ALDH1A1
SCHEMBL28030561 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4040094 0.75 EPHX1 (0.44) ALDH1A1
Carbamic Acid SCHEMBL11387830 0.75 EPHX1 (0.39) ALDH1A1
SCHEMBL733710 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL332043 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31679043 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3954035 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL735570 0.71 ALDH1A1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023627-B Dicyclohexylmethane diisocyanate composition and application thereof in 3D printing field 万华化学集团股份有限公司 2025-04-08 CN disclosed
CN-116023627-A Dicyclohexylmethane diisocyanate composition and application thereof in 3D printing field 万华化学集团股份有限公司 2023-04-28 CN disclosed