SCHEMBL303608

SCHEMBL303608

[CH2]CCCCCCCCCc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
CYP2D6 P10635 1/20 0.44
MTNR1A P48039 1/20 0.44
NQO2 P16083 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MCL1 Q07820 2/20 0.42

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
SCHEMBL302710 1.00 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL302715 1.00 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL303785 1.00 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL302935 1.00 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL304716 1.00 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL303705 1.00 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL302931 1.00 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL304711 1.00 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL303906 1.00 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL129443 1.00 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111465662-A Aqueous dispersions of pigmented particles 三菱铅笔株式会社 2020-07-28 CN disclosed
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
CN-105452398-B Composition for ink, ink jet recording method and tingle body using this composition for ink 日本化药株式会社 2018-07-10 CN disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed
CN-105452398-A Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KK 2016-03-30 CN disclosed
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
EP-2243805-B1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY NIPPON KAYAKU KK (JP) 2014-11-26 EP disclosed
CN-101925658-B Anthrapyridone compound or salt thereof, magenta ink composition containing anthrapyridone compound, and colored body NIPPON KAYAKU KK 2013-10-02 CN disclosed
US-8093422-B2 Method for deuteration of an aromatic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
EP-1561741-A1 METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP disclosed
EP-1535889-A1 METHOD OF DEUTERATING AROMATIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-06-01 EP disclosed
US-6410777-B1 HALOGEN-FREE TEIJIN LIMITED (JP) 2002-06-25 US disclosed
EP-0980861-A1 SALICYLIC ESTER DERIVATIVES AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2000-02-23 EP disclosed
EP-0349681-A1 Methods for treating hydrocarbon recovery operations and industrial waters PETROLITE CORPORATION (US) 1990-01-10 EP disclosed
US-4864075-A Dithiocarbamates for treating hydrocarbon recovery operations and industrial waters PETROLITE CORPORATION (US) 1989-09-05 US disclosed
US-4757147-A Imino-substituted piperidine compound PETROLITE CORPORATION (US) 1988-07-12 US disclosed
EP-0257765-A1 Cold flow improver and method of use thereof PETROLITE CORPORATION (US) 1988-03-02 EP disclosed
US-4708993-A OLIGOMERS OF ESTER-CONTAINING HALOPOLYALKYENES AS OIL OR FUEL ADDITIVES PETROLITE CORPORATION (US) 1987-11-24 US disclosed
US-4631138-A TRIAZONES AND TRIAZINE THIONES FOR USE WITH OIL AND GAS WELL DRILLING EQUIPMENT PETROLITE CORPORATION (US) 1986-12-23 US disclosed