SCHEMBL28199342

SCHEMBL28199342

C=C(C)C(=O)NN(C(=O)C(=C)C)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL17226146 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL471930 0.74
Hydrochloric Acid SCHEMBL28049167 0.72 ALDH1A1 (0.36) ALDH1A1TGFBR1
SCHEMBL4379108 0.68 ALDH1A1 (0.33) ALDH1A1TGFBR1
SCHEMBL8498003 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL26105865 0.68 TGFBR1 (0.33) ALDH1A1TGFBR1
SCHEMBL18191955 0.68 TGFBR1 (0.37) ALDH1A1TGFBR1
SCHEMBL29031182 0.67 TDP1 (0.55) ALDH1A1TGFBR1
SCHEMBL10946430 0.67 ALDH1A1 (0.32) ALDH1A1TGFBR1
SCHEMBL1071538 0.67 TDP1 (0.42) ALDH1A1TGFBR1

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-107619566-A A kind of preparation method of polyvinyl alcohol polaroid 中国石油化工集团公司 2018-01-23 CN disclosed