SCHEMBL29133501

SCHEMBL29133501

O=C=NC1CCCCC1(CC1CCCCC1)N=C=O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1890237 0.83 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3062855 0.83
SCHEMBL229600 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL231682 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5908132 0.74
SCHEMBL10619983 0.73 MAOA (0.36) ALDH1A1
SCHEMBL2728355 0.71 ALDH1A1 (0.40) ALDH1A1
Cyclohexane SCHEMBL6060871 0.70 ALDH1A1 (0.41) ALDH1A1
SCHEMBL17982081 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11035600 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433637-B Composition for manufacturing an ophthalmic lens comprising an encapsulated light absorbing additive 依视路国际公司 2023-11-03 CN disclosed