SCHEMBL21440331

SCHEMBL21440331

CCCCCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCCCC

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.80
LPAR3 Q9UBY5 8/20 0.67
LPAR2 Q9HBW0 6/20 0.67
LPAR1 Q92633 3/20 0.67
TSHR P16473 2/20 0.60
LMNA P02545 1/20 0.52
ESR1 P03372 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CDC25A P30304 1/20 0.52
AGTR1 P30556 1/20 0.52
AKT1 P31749 1/20 0.52
ADRA1A P35348 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL258275 1.00 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL258318 1.00 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL11670863 1.00 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL7183824 1.00 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL22230793 1.00 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21439847 1.00 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL8040341 1.00 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21437266 1.00 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL20483847 1.00 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL625931 1.00 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12049541-B2 Polyester resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-07-30 US disclosed
EP-3778772-B1 POLYESTER RESIN COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2023-11-29 EP disclosed
US-20210147619-A1 POLYESTER RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-20 US disclosed
EP-3778772-A1 POLYESTER RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-02-17 EP disclosed
WO-2019194117-A1 POLYESTER RESIN COMPOSITION 三菱瓦斯化学株式会社 2019-10-10 WO disclosed