SCHEMBL11035600

SCHEMBL11035600

O=C=NC1CCCCCCCCC1(N=C=O)C1CCCCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5201531 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL5908131 0.98 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2728355 0.74 ALDH1A1 (0.40) ALDH1A1
Cyclohexane SCHEMBL6060871 0.74 ALDH1A1 (0.41) ALDH1A1
SCHEMBL19715292 0.72 ALDH1A1 (0.37) ALDH1A1
SCHEMBL43172 0.71 ALDH1A1 (0.38) ALDH1A1
SCHEMBL424595 0.71 ALDH1A1 (0.38) ALDH1A1
SCHEMBL10613702 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1890237 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL27277670 0.70 ALDH1A1 (0.38) 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
US-4524006-A Selected alkylhydrazine and hydroxyalkylhydrazine adducts of diisocyanates and their use as antioxidants OLIN CORPORATION (US) 1985-06-18 US disclosed