SCHEMBL28137355

SCHEMBL28137355

C=CCC1CCCCC12C(=O)OC2=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.41
PRSS1 P07477 2/20 0.34
CTRC Q99895 2/20 0.34
F2 P00734 1/20 0.34
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11362509 0.77 GAA (0.33) GAAHPGDMAPK1
SCHEMBL8621959 0.77 MAPK1 (0.33) GAAHPGDMAPK1MAPT
SCHEMBL8922321 0.70 TDP1 (0.40) HPGDALDH1A1
SCHEMBL8922303 0.70 TDP1 (0.40) HPGDALDH1A1
SCHEMBL8920552 0.70 TDP1 (0.40) HPGDALDH1A1
SCHEMBL8920841 0.70 TDP1 (0.40) HPGDALDH1A1
SCHEMBL8920942 0.70 TDP1 (0.40) HPGDALDH1A1
SCHEMBL8643529 0.69 GAA (0.45) GAAHPGDMAPK1MAPT
SCHEMBL1434249 0.69
SCHEMBL3799713 0.68 GAA (0.44) GAAHPGDMAPK1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929817-B Coating containing branched polyester polyol as plasticizer 巴斯夫涂料有限公司 2024-01-05 CN disclosed
CN-106536593-B Coating containing flexible hyperbranched polyol alcohol 巴斯夫涂料有限公司 2019-06-07 CN disclosed
CN-106536593-A Coatings with flexible hyperbranched polyols 巴斯夫涂料有限公司 2017-03-22 CN disclosed