SCHEMBL942269

SCHEMBL942269

CC1(C)c2ccccc2C(C)(C)C1(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
HTR2A P28223 2/20 0.36
HTR5A P47898 2/20 0.33
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL29683228 1.00 PDK2 (0.37) PDK2PDK4HTR2AHTR5ATSHR
SCHEMBL28880724 0.86 PDK2 (0.40) PDK2PDK4HTR2AHTR5ATSHR
SCHEMBL6552461 0.81 PDK2 (0.33) PDK2PDK4HTR2A
SCHEMBL29830495 0.81 PDK2 (0.33) PDK2PDK4HTR2A
SCHEMBL9655317 0.77 PDK2 (0.30) PDK2
SCHEMBL18709160 0.77 SMN1; SMN2 (0.35) MEN1KMT2A
SCHEMBL29173988 0.75 ALDH1A1 (0.45) PDK2PDK4TSHRKDM4EMEN1
SCHEMBL15428159 0.75 HTR5A (0.35) PDK2PDK4HTR2AHTR5A
SCHEMBL5453469 0.73
SCHEMBL24338265 0.72 PDK2 (0.40) PDK2PDK4HTR2AHTR5ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11770971-B2 Esters containing aromatic groups as solvents for organic electronic formulations MERCK PATENT GMBH (DE) 2023-09-26 US claimed
EP-4084109-A1 ESTERS CONTAINING AROMATIC GROUPS AS SOLVENTS FOR ORGANIC ELECTRONIC FORMULATIONS Merck Patent GmbH (DE) 2022-11-02 EP claimed
EP-3391428-B1 ESTERS CONTAINING AROMATIC GROUPS AS SOLVENTS FOR ORGANIC ELECTRONIC FORMULATIONS MERCK PATENT GMBH (DE) 2022-06-29 EP claimed
US-20220102649-A1 ESTERS CONTAINING AROMATIC GROUPS AS SOLVENTS FOR ORGANIC ELECTRONIC FORMULATIONS MERCK PATENT GMBH (DE) 2022-03-31 US claimed
EP-3581633-B1 ESTERS CONTAINING NON-AROMATIC CYCLES AS SOLVENTS FOR OLED FORMULATIONS MERCK PATENT GMBH (DE) 2021-01-27 EP claimed
CN-111477766-A Esters containing non-aromatic rings as solvents for O L ED formulations 默克专利有限公司 2020-07-31 CN claimed
CN-111477768-A Aromatic group-containing esters as solvents for organic electronic formulations 默克专利有限公司 2020-07-31 CN claimed
EP-3307846-B1 ESTERS CONTAINING NON-AROMATIC CYCLES AS SOLVENTS FOR OLED FORMULATIONS MERCK PATENT GMBH (DE) 2019-08-14 EP claimed
CN-109568166-A Fragrance material 宝洁公司 2019-04-05 CN claimed
EP-3391428-A1 ESTERS CONTAINING AROMATIC GROUPS AS SOLVENTS FOR ORGANIC ELECTRONIC FORMULATIONS Merck Patent GmbH (DE) 2018-10-24 EP claimed
CN-101384665-A Silicone additives for the compatibilization of organic compounds with wax mixtures MOMENTIVE PERFORMANCE MAT INC (US) 2009-03-11 CN claimed
EP-1979416-A2 SILICONE ADDITIVES FOR COMPATABILIZING ORGANIC COMPOUNDS WITH WAX MIXTURES Momentive Performance Materials Inc. (US) 2008-10-15 EP claimed
WO-2007075537-A2 SILICONE ADDITIVES FOR COMPATABILIZING ORGANIC COMPOUNDS WITH WAX MIXTURES MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2007-07-05 WO claimed
CN-1254527-C Fabric care compositions systems for delivering clean, fresh scent in lipophilic fluid treatment process PROCTER & GAMBLE (US) 2006-05-03 CN claimed
EP-1631329-A1 CONTROL OF FEMALE BODY ODOURS Quest International Services B.V. (NL) 2006-03-08 EP claimed
WO-2004098666-A1 CONTROL OF FEMALE BODY ODOURS QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-11-18 WO claimed
CN-1433461-A Fabric care compositions and systems for delivering clean and fresh scent during lipophilic fluid treatment PROCTER & GAMBLE (US) 2003-07-30 CN claimed
US-5362715-A Perfume PFW AROMA CHEMICALS B.V. (NL) 1994-11-08 US claimed
EP-0444586-B1 Bicyclic polysubstituted ketone GIVAUDAN ROURE INT (CH) 1993-10-27 EP claimed
EP-0444586-A1 Bicyclic polysubstituted ketone GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1991-09-04 EP claimed