SCHEMBL9999670

SCHEMBL9999670

O=C1OCC(CCCCC2COC(=O)O2)O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 1/20 0.33
CA2 P00918 1/20 0.30
GRM2 Q14416 1/20 0.30
TP53 P04637 1/20 0.30
HBB P68871 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17227787 0.98 CYP1A2 (0.40) CYP1A2ALDH1A1HTTPPARGGRM2
SCHEMBL2272354 0.90 CYP1A2 (0.51) CYP1A2ALDH1A1PPARGGRM2
SCHEMBL13058166 0.88 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGGRM2
SCHEMBL5598322 0.88 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGGRM2
SCHEMBL17265372 0.88 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGGRM2
SCHEMBL24548574 0.88 CYP1A2 (0.32) CYP1A2
SCHEMBL16339694 0.88 CYP1A2 (0.35) CYP1A2ALDH1A1PPARGGRM2
SCHEMBL9576975 0.88 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGGRM2
SCHEMBL19283429 0.88 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGGRM2
SCHEMBL8518471 0.88 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGGRM2

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
WO-2023248723-A1 IMMOBILIZED ZINC COMPLEX HAVING GUANIDINE LIGAND, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING CYCLIC CARBONATE USING SAME 信越化学工業株式会社 2023-12-28 WO disclosed
WO-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed
US-20080286486-A1 Carbonate Containing Energy-Curable Compositions SUN CHEMICAL CORP. (US) 2008-11-20 US disclosed
US-20080286486-A1 Carbonate Containing Energy-Curable Compositions SUN CHEMICAL CORP. (US) 2008-11-20 US disclosed
WO-2007055929-A1 CYCLOCARBONATE-CONTAINING ENERGY-CURABLE COMPOSITIONS SUN CHEMICAL CORPORATION (US) 2007-05-18 WO disclosed