SCHEMBL1036813

SCHEMBL1036813

CCCCCC(=O)OC=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
DGKA P23743 1/20 0.54
LMNA P02545 2/20 0.50
PAM P19021 2/20 0.48
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
AKR1B1 P15121 1/20 0.46
TRPA1 O75762 1/20 0.45
PPARG P37231 4/20 0.44
PPARD Q03181 4/20 0.44
PPARA Q07869 4/20 0.44
GPR84 Q9NQS5 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
TLR2 O60603 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
SCHEMBL594731 0.98 TSHR (0.58) TSHRDGKALMNAPAMCES2
SCHEMBL9152744 0.98 TSHR (0.58) TSHRDGKALMNAPAMCES2
SCHEMBL11740813 0.98 TSHR (0.58) TSHRDGKALMNAPAMCES2
SCHEMBL4398855 0.98 TSHR (0.58) TSHRDGKALMNAPAMCES2
SCHEMBL9421274 0.98 TSHR (0.58) TSHRDGKALMNAPAMCES2
SCHEMBL1356043 0.98 TSHR (0.58) TSHRDGKALMNAPAMCES2
SCHEMBL1447170 0.98 TSHR (0.58) TSHRDGKALMNAPAMCES2
SCHEMBL1903671 0.98 TSHR (0.58) TSHRDGKALMNAPAMCES2
SCHEMBL1548895 0.98 TSHR (0.58) TSHRDGKALMNAPAMCES2
SCHEMBL28140931 0.98 TSHR (0.58) TSHRDGKALMNAPAMCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417719-B Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange 华东理工大学 2022-11-25 CN claimed
CN-105492616-A Method for producing l-leucine, l-valine, l-isoleucine, alpha-ketoisovalerate, alpha-keto-beta-methylvalerate, or alpha-ketoisocaproate using recombinant corynebacteria that contain the ilvbn operon which can be induced by propionate EVONIK DEGUSSA GMBH 2016-04-13 CN claimed
WO-2014031226-A1 THE PRODUCTION OF NITROGEN COMPOUNDS FROM A METHANE CONVERSION PROCESS UOP LLC (US) 2014-02-27 WO claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
CN-101171338-A Process for extracting and recovering polyhydroxyalkanoates (PHAs) from cellular biomass PHB IND SA (BR) 2008-04-30 CN claimed
CN-1479712-A Ketone compounds and compositions for cholesterol management and related uses ͨ��ҽ�ƹ�˾ 2004-03-03 CN claimed
EP-1037532-B1 STABILIZED COMPOSITION CONTAINING HALOPROPYNYL COMPOUNDS TROY TECHNOLOGY CORP INC (US) 2003-05-14 EP claimed
CN-117120400-A Process for producing higher linear alkanes 赢创运营有限公司 2023-11-24 CN disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-11028348-B2 Naturally-derived antimicrobial cleaning solutions ProNatural Brands, LLC (US) 2021-06-08 US disclosed
CN-106795529-B Method for preparing alkane by combining microorganism and KOLBE (KOLBE synthesis) 赢创运营有限公司 2021-01-01 CN disclosed
US-6030505-A IN A YIELD OF NOT LESS THAN 90% BY DISTILLATION OF A MIXTURE, OBTAINED FROM A PROCESS FOR THE HYDROFORMYLATION OF A 4-PENTENOIC ESTER USING LOW BOILER ISOMER AND DEPRESSURIZED COLUMNS TO OBTAIN AN OVERHEAD OF HIGH PURITY BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
CN-1175241-A Carbonylation of olefins EASTMAN CHEM CO (US) 1998-03-04 CN disclosed
US-5719288-A FOR TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
EP-0736069-A1 PYRIDONE DYES BASF AG (DE) 1996-10-09 EP disclosed
WO-1995017470-A1 PYRIDONE DYES BASF AKTIENGESELLSCHAFT (DE) 1995-06-29 WO disclosed
EP-0008482-A1 Process for the preparation of delta keto-acids and derivatives thereof STAMICARBON B.V. (NL) 1980-03-05 EP disclosed
US-3997682-A Oleaginous food flavored with certain alpha carboxy acids and/or esters thereof ANDERSON, CLAYTON & CO. (US) 1976-12-14 US disclosed