SCHEMBL9999653

SCHEMBL9999653

OCc1cc(C2CCC(c3cc(CO)c(O)c(CO)c3)(c3cc(CO)c(O)c(CO)c3)CC2)cc(CO)c1O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.37
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.30
CASP6 P55212 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
SCHEMBL24557394 0.82 ACHE (0.41) ESR2ACHEKDM4ECASP6
SCHEMBL4452694 0.78 HDAC4 (0.38) ESR2KDM4ECASP6
SCHEMBL14616322 0.78 ACHE (0.34) ACHE
SCHEMBL10051860 0.77 ACHE (0.55) ESR2ACHEKDM4ECASP6
SCHEMBL2219914 0.77 ACMSD (0.39) ESR2KDM4ECASP6
SCHEMBL10051849 0.77 ACHE (0.55) ESR2ACHEKDM4ECASP6
SCHEMBL20225259 0.77 ACHE (0.55) ESR2ACHEKDM4ECASP6
SCHEMBL10051853 0.77 ACHE (0.55) ESR2ACHEKDM4ECASP6
SCHEMBL3173227 0.72 ACHE (0.42) ESR2ACHEKDM4E
SCHEMBL31530699 0.72 ACHE (0.42) ESR2ACHEKDM4E

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
US-11028323-B2 Liquid crystal aligning agent containing crosslinking agent and polymer that has site having isocyanate group and/or blocked isocyanate group and site having photoreactivity, liquid crystal alignment film, and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-06-08 US disclosed
US-10921650-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-02-16 US disclosed
US-20190023987-A1 LIQUID CRYSTAL ALIGNING AGENT CONTAINING CROSSLINKING AGENT AND POLYMER THAT HAS SITE HAVING ISOCYANATE GROUP AND/OR BLOCKED ISOCYANATE GROUP AND SITE HAVING PHOTOREACTIVITY, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-24 US disclosed
US-20190018289-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-17 US 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