SCHEMBL28030561

SCHEMBL28030561

C1CCC(C(C2CCCCC2)(C2CCCCC2)C2CCCCC2)CC1.N=C=O.N=C=O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL652387 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11097584 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11889302 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4040094 0.79 EPHX1 (0.44) ALDH1A1
SCHEMBL332043 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29011963 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31679043 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL733710 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2004894 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6232811 0.74 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
CN-103031045-B Solvent-free polyaspartic acid ester polyurea elastic waterproof paint ZHUHAI FEIYANG NOVEL MATERIALS Corp.,Ltd. (CN) 2015-08-19 CN disclosed