SCHEMBL9710097

SCHEMBL9710097

CCC(C)(C)C(C)(CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
TET2 Q6N021 1/20 0.30

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
SCHEMBL9154668 0.85 TSHR (0.44) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL169944 0.82 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL16143872 0.82 ALDH1A1 (0.34) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL8356639 0.82 ALDH1A1 (0.34) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL178650 0.82 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL9886728 0.80 TSHR (0.32) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL28663206 0.80 TSHR (0.32) TSHRTDP1
SCHEMBL284018 0.80 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL178598 0.79 MMP8 (0.34) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL15787218 0.79 TSHR (0.31) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109786834-A Electrolyte and electrochemical appliance 宁德新能源科技有限公司 2019-05-21 CN claimed
CN-111961601-B Yeast for high yield of isoamyl acetate by solid state fermentation and application thereof 宜宾五粮液股份有限公司 2022-05-27 CN disclosed
CN-111961601-A Yeast for high yield of isoamyl acetate by solid state fermentation and application thereof 宜宾五粮液股份有限公司 2020-11-20 CN disclosed
CN-110495042-A Electrolyte solution for lithium ion secondary battery, lithium ion secondary battery and component DAIKIN IND LTD 2019-11-22 CN disclosed
CN-110495041-A Electrolyte, electrochemical device, lithium ion secondary battery and component DAIKIN IND LTD 2019-11-22 CN disclosed
CN-110383567-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2019-10-25 CN disclosed
CN-107210486-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-10-18 CN disclosed
CN-110313098-A Electrolyte, electrochemical device, lithium ion secondary battery and component 大金工业株式会社 2019-10-08 CN disclosed
CN-110061176-A Electrochemical device 宁德新能源科技有限公司 2019-07-26 CN disclosed
CN-110010882-A NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME 三菱化学株式会社 2019-07-12 CN disclosed
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed
CN-104185818-A Toner for developing electrostatic charge image ZEON CORP 2014-12-03 CN disclosed
CN-104067433-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-09-24 CN disclosed
EP-2471654-B1 Lithographic printing plate precursor, plate making method thereof and lithographic printing method thereof FUJIFILM CORP (JP) 2014-08-06 EP disclosed
CN-103762381-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2014-04-30 CN disclosed
CN-103380530-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2013-10-30 CN disclosed
CN-103354962-A Nonaqueous electrolyte for secondary battery and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEM CORP 2013-10-16 CN disclosed
CN-103339784-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2013-10-02 CN disclosed
US-5117022-A Antitumor THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-05-26 US disclosed
WO-1990002131-A1 HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-03-08 WO disclosed