SCHEMBL252017

SCHEMBL252017

ClC(Cl)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
TAAR1 Q96RJ0 4/20 0.50
SIGMAR1 Q99720 3/20 0.50
SLC6A2 P23975 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP1A2 P05177 1/20 0.48
SLC18A2 Q05940 1/20 0.46
ANPEP P15144 1/20 0.46
CYP2D6 P10635 1/20 0.46
CALM1 P0DP23 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44

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
Hydrochloric Acid SCHEMBL27976648 0.97 EPHX1 (0.52) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL28216867 0.86 CYP1A2 (0.43) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL8108589 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL6282853 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL10689987 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL219294 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL707068 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL5146904 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL564024 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL66064 0.78 SIGMAR1 (0.58) EPHX1TAAR1SIGMAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118179606-A Catalytic system for ethylene selective oligomerization and application 贝欧亿(山东)新材料有限公司 2024-06-14 CN claimed
CN-118184850-A High-adsorptivity resin for hydrogen peroxide decarburization and preparation method thereof 江苏省临海树脂科技有限公司 2024-06-14 CN claimed
CN-118022990-A Copper sulfide mineral hydrophilizing agent and preparation and application methods thereof 长春黄金研究院有限公司 2024-05-14 CN claimed
CN-109776733-B Polar diene polymer and preparation method thereof 中国石油化工股份有限公司 2021-12-31 CN claimed
CN-109134716-B Vanadium catalyst and method for preparing olefin polymer 北京引发科技有限公司 2020-11-10 CN claimed
EP-1155001-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2003-05-28 EP claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
US-5880253-A Production of organosulfur or organoselenium ploymers PHILLIPS PETROLEUM COMPANY (US) 1999-03-09 US claimed
EP-0440390-A1 Process for the preparation of bisphenols THE DOW CHEMICAL COMPANY (US) 1991-08-07 EP claimed
US-4380554-A Polymeric monohydroxybenzenoid hydroquinoid antioxidants STANDARD OIL COMPANY (INDIANA) (US) 1983-04-19 US claimed
US-4310657-A Polymeric monohydroxybenzenoid hydroquinoid antioxidants STANDARD OIL COMPANY (INDIANA) (US) 1982-01-12 US claimed
US-4243405-A HYDROXYALKYLTRIAZOLES AND DERIVATIVES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-01-06 US claimed
EP-0001682-A2 Heterocyclic compounds and their use as pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-05-02 EP claimed
JP-56092282-A None JP disclosed
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
CN-118184850-A High-adsorptivity resin for hydrogen peroxide decarburization and preparation method thereof 江苏省临海树脂科技有限公司 2024-06-14 CN disclosed
US-4051107-A Microstructured high molecular weight-low viscosity polyester polymers HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-09-27 US disclosed
US-4049629-A PREPARING POLYESTERS BY REACTING A DIACID HALIDE AND A SUBSTITUTED BISPHENOL AND A GLYCOL HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-09-20 US disclosed
US-3946091-A POLYETHYLENE TEREPHTHALATE UNITIKA LIMITED (JA) 1976-03-23 US disclosed