SCHEMBL4736993

SCHEMBL4736993

CCCCCCCCCc1cccc2ccccc12.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.53
BCHE P06276 1/20 0.50
MAPT P10636 2/20 0.49
KCNH2 Q12809 1/20 0.48
TLR8 Q9NR97 3/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CNR1 P21554 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
NQO2 P16083 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL28082479 1.00 LIPG (0.53) LIPGBCHEMAPTKCNH2TLR8
SCHEMBL10798228 1.00 LIPG (0.53) LIPGBCHEMAPTKCNH2TLR8
SCHEMBL28082729 1.00 LIPG (0.53) LIPGBCHEMAPTKCNH2TLR8
SCHEMBL28082493 1.00 LIPG (0.53) LIPGBCHEMAPTKCNH2TLR8
SCHEMBL11223364 1.00 LIPG (0.53) LIPGBCHEMAPTKCNH2TLR8
SCHEMBL28082552 1.00 LIPG (0.53) LIPGBCHEMAPTKCNH2TLR8
SCHEMBL28082645 1.00 LIPG (0.53) LIPGBCHEMAPTKCNH2TLR8
SCHEMBL28082884 1.00 LIPG (0.53) LIPGBCHEMAPTKCNH2TLR8
SCHEMBL6138963 1.00 LIPG (0.53) LIPGBCHEMAPTKCNH2TLR8
SCHEMBL28082682 1.00 LIPG (0.53) LIPGBCHEMAPTKCNH2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed
CN-107250226-A Acrylic resin modified solidfied material and its layered product and their manufacture method 三井化学株式会社 2017-10-13 CN disclosed
CN-106659639-A Dental prosthesis 三井化学株式会社 2017-05-10 CN disclosed
CN-105814092-A Composition for hydrophilic cured product 三井化学株式会社 2016-07-27 CN disclosed
WO-2008076055-A1 PROCESS OF PULPING AKZO NOBEL N.V. (NL) 2008-06-26 WO disclosed
EP-1020511-A2 Non-sludging high temperature resistant food compatible lubricant for food processing machinery EXXON RESEARCH AND ENGINEERING COMPANY (US) 2000-07-19 EP disclosed
US-6090761-A FOOD GRADE BASE OIL AND A COMBINATION OF FOOD GRADE ADDITIVES INCLUDING AN ANTIOXIDANT, A RUST INHIBITOR, AN ANTIWEAR ADDITIVE, AN ANTIFOAMANT, AND A COMBINATION OF UP TO 2.5 WT % EMULSIFIER AND COUPLING AGENT EXXON RESEARCH AND ENGINEERING COMPANY (US) 2000-07-18 US disclosed
US-6087308-A COMPRISING A FOOD GRADE LUBRICATING BASE OIL AND A POLYGLYCEROL FATTY ACID ESTER COUPLING AGENT TO IMPACT GOOD RESISTANCE TO WEAR, OXIDATION AND RUST AND EXHIBIT IMPROVED RESISTANCE TO SLUDGING WHILE IN SERVICE EXXON RESEARCH AND ENGINEERING COMPANY (US) 2000-07-11 US disclosed
WO-2000037592-A1 NON-SLUDGING, HIGH TEMPERATURE RESISTANT FOOD COMPATIBLE LUBRICANT FOR FOOD PROCESSING MACHINERY EXXON RESEARCH & ENGINEERING COMPANY (US) 2000-06-29 WO disclosed
US-4360514-A MOUTHWASHES, DENTIFRICES; ORAL DISEASES; CHEWING GUM; ANTIDEPOSIT AGENTS JOHNSON & JOHNSON PRODUCTS INC. (US) 1982-11-23 US disclosed