SCHEMBL1007367

SCHEMBL1007367

Cc1cc(OC(=O)CCC(O)(CCC(=O)Oc2cc(C)c(O)c(C(C)(C)C)c2)COCCOCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.40
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL6907089 0.84 VCAM1 (0.43) VCAM1CYP1A2CYP2C9CYP2C19CA1
Triethylene Glycol SCHEMBL1612917 0.83 VCAM1 (0.40) VCAM1CYP1A2CYP2C9CYP2C19CA1
SCHEMBL4654670 0.76 VCAM1 (0.54) VCAM1CA1CA2
SCHEMBL9863033 0.76 VCAM1 (0.38) VCAM1CYP1A2CYP2C9CYP2C19CA1
SCHEMBL8336610 0.75 VCAM1 (0.45) VCAM1CYP1A2CYP2C9CYP2C19CA1
SCHEMBL25260432 0.73 CYP2C9 (0.42) CYP1A2CYP2C9CYP2C19CA1CA2
SCHEMBL29732475 0.72 CYP1A2 (0.47) VCAM1CYP1A2CYP2C9CYP2C19CA1
SCHEMBL716507 0.72 CYP1A2 (0.47) VCAM1CYP1A2CYP2C9CYP2C19CA1
SCHEMBL10454396 0.72 GAA (0.48) VCAM1CYP1A2CYP2C9CYP2C19CA1
SCHEMBL28159896 0.72 VCAM1 (0.68) VCAM1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3741796-B1 PRODUCTION METHOD FOR PIPE-SHAPED INTEGRALLY MOLDED ARTICLE TORAY INDUSTRIES (JP) 2022-10-26 EP disclosed
US-11241818-B2 Pipe-shaped integrally molded article and production method for pipe-shaped integrally molded article TORAY INDUSTRIES, INC. (JP) 2022-02-08 US disclosed
EP-3741796-A1 PIPE-SHAPED INTEGRALLY MOLDED ARTICLE AND PRODUCTION METHOD FOR PIPE-SHAPED INTEGRALLY MOLDED ARTICLE Toray Industries, Inc. (JP) 2020-11-25 EP disclosed
US-20200247028-A1 PIPE-SHAPED INTEGRALLY MOLDED ARTICLE AND PRODUCTION METHOD FOR PIPE-SHAPED INTEGRALLY MOLDED ARTICLE TORAY INDUSTRIES, INC. (JP) 2020-08-06 US disclosed
US-10703902-B2 Polycarbonate resin composition and molded body thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2020-07-07 US disclosed
EP-2738222-B1 THERMOPLASTIC RESIN COMPOSITION FOR IMPACT ABSORBING MEMBER AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES (JP) 2018-09-26 EP disclosed
EP-3357971-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE OF SAME Mitsubishi Chemical Corporation (JP) 2018-08-08 EP disclosed
US-20180208764-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED BODY THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2018-07-26 US disclosed
US-9334482-B2 Thermoplastic resin composition for impact absorbing member and method for producing same TORAY INDUSTRIES, INC. (JP) 2016-05-10 US disclosed
EP-2738222-A1 THERMOPLASTIC RESIN COMPOSITION FOR IMPACT ABSORBING MEMBER AND METHOD FOR PRODUCING SAME Toray Industries, Inc. (JP) 2014-06-04 EP disclosed
US-20140142219-A1 THERMOPLASTIC RESIN COMPOSITION FOR IMPACT ABSORBING MEMBER AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES, INC. (JP) 2014-05-22 US disclosed
EP-2270073-B1 PROCESS FOR PRODUCING THERMOPLASTIC RESIN COMPOSITION AND THERMOPLASTIC RESIN COMPOSITION TORAY INDUSTRIES (JP) 2013-05-22 EP disclosed
EP-2270073-A1 PROCESS FOR PRODUCING THERMOPLASTIC RESIN COMPOSITION Toray Industries, Inc. (JP) 2011-01-05 EP disclosed
EP-1229082-B1 Resin molding having a weld TOYODA GOSEI KK (JP) 2007-09-05 EP disclosed
EP-0874012-B1 Coating composition for optical fiber MITSUI TAKEDA CHEMICALS INC (JP) 2004-03-10 EP disclosed
EP-1229082-A1 Resin molding having a weld Toyoda Gosei Co., Ltd. (JP) 2002-08-07 EP disclosed
EP-0874012-A1 Coating composition for optical fiber TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed