SCHEMBL944498

SCHEMBL944498

CC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.46
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1D P28221 4/20 0.39
HTR1B P28222 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP2D6 P10635 4/20 0.39
HSPA5 P11021 2/20 0.38
CYP2C9 P11712 3/20 0.37
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2582081 0.98 CYP2C19 (0.47) CYP2C19CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL10442609 0.84 CYP1A2 (0.47) CYP2C19CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL9308042 0.84 CYP2D6 (0.44) CYP2C19CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL1447610 0.83 KLF10 (0.47) CYP2C19CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL11089739 0.82 HSPA5 (0.52) CYP2C19CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL676422 0.81 CYP1A2 (0.44) CYP2C19CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL6712753 0.81 CYP2C19 (0.44) CYP2C19CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL28125192 0.81 CYP1A2 (0.44) CYP2C19CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL20105166 0.79 CYP1A2 (0.43) CYP2C19CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL27801464 0.79 CYP1A2 (0.34) CYP2C19CYP1A2ALDH1A1HTR1DHTR1B

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024084885-A1 RESIN COMPOSITION, METHOD FOR PRODUCING RESIN PRODUCT, AND FLAME RETARDANT MASTERBATCH 三菱ケミカル株式会社 2024-04-25 WO disclosed
EP-3604482-B1 FLAME RETARDANT COMPOSITION AND FLAME-RETARDANT SYNTHETIC RESIN COMPOSITION CONTAINING SAME ADEKA CORP (JP) 2024-03-20 EP disclosed
US-11753527-B2 Flame retardant composition and flame-retardant synthetic resin composition containing same ADEKA CORPORATION (JP) 2023-09-12 US disclosed
EP-3255095-B1 FLAME-RETARDANT POLYOLEFIN RESIN COMPOSITION ADEKA CORP (JP) 2021-10-27 EP disclosed
EP-3505595-B1 FLAME RETARDANT COMPOSITION AND FLAME RETARDANT SYNTHETIC RESIN COMPOSITION ADEKA CORP (JP) 2021-04-14 EP disclosed
US-10968336-B2 Flame retardant composition and flame retardant synthetic resin composition ADEKA CORPORATION (JP) 2021-04-06 US disclosed
EP-3492557-B1 FLAME-RETARDANT COMPOSITION AND FLAME-RETARDANT SYNTHETIC-RESIN COMPOSITION ADEKA CORP (JP) 2021-03-03 EP disclosed
US-10914312-B2 Fan KAO CORPORATION (JP) 2021-02-09 US disclosed
EP-3444300-B1 FLAME-RETARDANT POLYOLEFIN-BASED RESIN COMPOSITION ADEKA CORP (JP) 2020-11-18 EP disclosed
US-10738159-B2 Flame retardant thermoplastic polyurethane resin composition ADEKA CORPORATION (JP) 2020-08-11 US disclosed
US-9045635-B2 Polylactic acid stereocomplex, method for production thereof, and nucleating agent for polylactic acid resin TORAY INDUSTRIES, INC. (JP) 2015-06-02 US disclosed
US-20120202944-A1 POLYLACTIC ACID STEREOCOMPLEX, METHOD FOR PRODUCTION THEREOF, AND NUCLEATING AGENT FOR POLYLACTIC ACID RESIN TORAY INDUSTRIES, INC. (JP) 2012-08-09 US disclosed
EP-2471864-A1 POLYLACTIC ACID STEREOCOMPLEX, PROCESS FOR PRODUCTION THEREOF, AND NUCLEATING AGENT FOR POLYLACTIC ACID RESIN Toray Industries, Inc. (JP) 2012-07-04 EP disclosed
US-20110005038-A1 BUTTON MADE OF BIOMASS MATERIAL AND METHOD FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2011-01-13 US disclosed
US-20100249291-A1 REACTIVE HOT-MELT COMPOSITION AND MOLDED ARTICLE USING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-09-30 US disclosed
EP-2223622-A1 BUTTON MADE FROM BIOMASS RAW MATERIAL AND METHOD FOR PRODUCING THE SAME Teijin Limited (JP) 2010-09-01 EP disclosed
EP-2058348-A1 REACTIVE HOT-MELT COMPOSITION AND MOLDED ARTICLE USING THE SAME Ube Industries, Ltd. (JP) 2009-05-13 EP disclosed
US-20030219584-A1 Sheet, thermoformed article and laminate structure SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-27 US disclosed
US-20030072958-A1 Resin sheet, thermoformed resin article, and laminate structure SUMITOMO CHEMICAL COMPANY, LIMITED 2003-04-17 US disclosed
EP-0446358-B1 POLYPROPYLENE RESIN COMPOSITION MITSUI TOATSU CHEMICALS (JP) 1995-10-18 EP disclosed