SCHEMBL4963102

SCHEMBL4963102

C=CC(OOCCCC)OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 3/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10456591 0.94 HCAR2 (0.38) TSHRHPGDHCAR2
SCHEMBL4963097 0.88 TSHR (0.42) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL10699865 0.82 HCAR2 (0.33) TSHRHPGDHCAR2
SCHEMBL10456590 0.82 PLA2G2C (0.39) TSHRHPGDHCAR2
SCHEMBL9475285 0.74 HCAR2 (0.33) TSHRHCAR2
SCHEMBL10699854 0.74 PLA2G2C (0.33) TSHRHPGDHCAR2
SCHEMBL10698322 0.73 ALDH1A1 (0.37) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL28353990 0.72 ALDH1A1 (0.35) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL27136179 0.71 ALDH1A1 (0.34) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL28059975 0.71 LMNA (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58219250-A None JP disclosed
EP-1875312-A1 MAGNETIC TONER Canon Kabushiki Kaisha (JP) 2008-01-09 EP disclosed
WO-2006114900-A1 MAGNETIC TONER CANON KABUSHIKI KAISHA (JP) 2006-11-02 WO disclosed
EP-0636942-A1 Binder resin for electrophotographic toner and toner containing the same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-01 EP disclosed
US-5141984-A Polyamide, polyphenylene ether, epoxy group containing polymer, vinyl polymer, molding materials NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-08-25 US disclosed
JP-S58219250-A VINYL CHLORIDE RESIN COMPOSITION MITSUBISHI MONSANTO CHEM CO 1983-12-20 JP disclosed