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SCHEMBL824488

SCHEMBL824488

Cc1cc(OP(=O)(Oc2cc(C)c(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccc(P(=O)(Oc4cc(C)c(C(C)(C)C)cc4C(C)(C)C)Oc4cc(C)c(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)c(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ PGK1 P00558 1/20 0.30
▸ PGK2 P07205 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
SCHEMBL7640723 0.94 CYP1A2 (0.33) CYP1A2CYP2C19RARARARBRARG
SCHEMBL824472 0.94 CYP1A2 (0.40) CYP1A2CYP2C19RARARARBRARG
SCHEMBL824489 0.91 KDM4E (0.32) CYP1A2CYP2C19RARARARBRARG
SCHEMBL7644147 0.90 CYP1A2 (0.31) CYP1A2CYP2C19
SCHEMBL7643332 0.86 — —
SCHEMBL7643560 0.85 — —
SCHEMBL31177140 0.82 PGK1 (0.33) PGK1PGK2
SCHEMBL29150414 0.79 CA1 (0.36) CYP1A2CYP2C19RARARARBRARG
SCHEMBL868584 0.79 CA1 (0.36) CYP1A2CYP2C19RARARARBRARG
SCHEMBL30115188 0.79 CA1 (0.36) CYP1A2CYP2C19RARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137567-A1 TERMINALLY MODIFIED POLYETHYLENE TEREPHTHALATE RESIN, METHOD OF PRODUCING SAME AND MOLDED ARTICLE TORAY INDUSTRIES, INC. (JP) 2017-05-18 — — US disclosed
EP-2722352-A1 METHOD FOR MANUFACTURING BIOMASS-DERIVED POLYESTER AND BIOMASS-DERIVED POLYESTER Toray Industries, Inc. (JP) 2014-04-23 — — EP disclosed
US-20120322970-A1 BIOMASS RESOURCE-DERIVED POLYESTER AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES, INC. (JP) 2012-12-20 — — US disclosed
US-8142864-B2 Cellulose ester pellets, cellulose ester film, manufacturing method of cellulose ester film, polarizing plate, and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2012-03-27 — — US disclosed
US-8142864-B2 Cellulose ester pellets, cellulose ester film, manufacturing method of cellulose ester film, polarizing plate, and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2012-03-27 — — US disclosed
US-20100047480-A1 CELLULOSE ESTER PELLETS, CELLULOSE ESTER FILM, MANUFACTURING METHOD OF CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY C/O KONICA MINOLTA OPTO, INC. (JP) 2010-02-25 — — US disclosed
US-20100047480-A1 CELLULOSE ESTER PELLETS, CELLULOSE ESTER FILM, MANUFACTURING METHOD OF CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY C/O KONICA MINOLTA OPTO, INC. (JP) 2010-02-25 — — US disclosed