SCHEMBL8723109

SCHEMBL8723109

O=C(OCC(O)CO)c1cccc(C(=O)OCC(O)CO)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.54
ADRB1 P08588 15/20 0.54
ADRB3 P13945 15/20 0.54
ALDH1A1 P00352 1/20 0.53
PRKCA P17252 1/20 0.47
PTPN1 P18031 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL7946052 0.94 ALDH1A1 (0.51) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL27637013 0.89 ADRB2 (0.69) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL22509324 0.89 SERPINE1 (0.46) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL1866116 0.87 ALDH1A1 (0.70) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL3391 0.87 ALDH1A1 (0.70) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL1866113 0.87 ALDH1A1 (0.70) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL14058512 0.86 ALDH1A1 (0.47) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL20515564 0.86 ALDH1A1 (0.68) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL4983780 0.85 ADRB2 (0.55) ADRB2ADRB1ADRB3ALDH1A1PRKCA
SCHEMBL4762261 0.83 ALDH1A1 (0.58) ADRB2ADRB1ADRB3ALDH1A1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023238920-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM TO REDUCE ENVIRONMENTAL IMPACT 日産化学株式会社 2023-12-14 WO disclosed
US-5753316-A TORQUE MODIFIER PPG INDUSTRIES, INC. (US) 1998-05-19 US disclosed
US-4508806-A Electrophotographic toner composition ARAKAWA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-04-02 US disclosed
US-4442256-A AUTOMOBILE TOP COATINGS, HARDNESS, GLOSS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-10 US disclosed