SCHEMBL13636554

SCHEMBL13636554

C=C(CC)C(=O)OCCOCC(COCCOC(=O)C(=C)CC)OCCOC(=O)C(=C)CC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
LPAR1 Q92633 4/20 0.36
LPAR3 Q9UBY5 4/20 0.36
TSHR P16473 4/20 0.35
LPAR2 Q9HBW0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TLR2 O60603 4/20 0.32

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
SCHEMBL996774 0.83 THRB (0.59) THRBLPAR1LPAR3TSHRLPAR2
SCHEMBL19679992 0.82 THRB (0.46) THRBLPAR1LPAR3TSHRLPAR2
SCHEMBL57345 0.80 THRB (0.50) THRBTSHRALDH1A1
SCHEMBL25821794 0.79 NAAA (0.47) LPAR1LPAR3TSHRLPAR2ALDH1A1
SCHEMBL111960 0.78 THRB (0.68) THRBTSHRALDH1A1
SCHEMBL9690995 0.75 THRB (0.48) THRBTSHRALDH1A1
SCHEMBL6036910 0.75 THRB (0.48) THRBTSHRALDH1A1
SCHEMBL19679994 0.75 THRB (0.42) THRBLPAR1LPAR3TSHRLPAR2
SCHEMBL28858999 0.75 TSHR (0.56) THRBTSHR
SCHEMBL28123878 0.75 TSHR (0.56) THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304117-B2 Comprises bismaleimide oligomer formed by reaction of barbituric acid and bismaleimide INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-11-06 US disclosed
US-20080160404-A1 Gel polymer electrolyte precursor and rechargeable cell comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2008-07-03 US disclosed