SCHEMBL22733786

SCHEMBL22733786

COC(=O)CC1C=CC=CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
EGFR P00533 1/20 0.32
GAA P10253 3/20 0.32
HSD17B10 Q99714 3/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.31
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL27993329 0.83 MGAM (0.36) TSHRGAAHSD17B10ALDH1A1MAPT
SCHEMBL28615436 0.81
SCHEMBL905316 0.81 CYP1A2 (0.33)
SCHEMBL3683069 0.81 TSHR (0.35) TSHREGFRGAAHSD17B10HTT
SCHEMBL11507777 0.81 TSHR (0.35) TSHREGFRGAAHSD17B10HTT
SCHEMBL9367097 0.78
SCHEMBL27671098 0.74
SCHEMBL5379373 0.73 EPHX2 (0.35) GAALMNAKMT2A
SCHEMBL28624166 0.72
SCHEMBL31512459 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072504-B Chemical synthesis method of bosentan metabolite 四川摩尔生物制药有限公司 2022-11-22 CN claimed
CN-113072504-A Chemical synthesis method of bosentan metabolite 四川摩尔生物制药有限公司 2021-07-06 CN claimed
US-12494506-B2 Nonaqueous electrolytic solution and energy device including the same MITSUBISHI CHEMICAL CORPORATION (JP) 2025-12-09 US disclosed
EP-3780227-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY DEVICE INCLUDING THE SAME MITSUBISHI CHEM CORP (JP) 2024-07-24 EP disclosed
CN-111801833-B Nonaqueous electrolyte and energy device using same 三菱化学株式会社 2024-07-16 CN disclosed
CN-111788733-B Nonaqueous electrolyte and power storage device using same 三菱化学株式会社 2024-02-02 CN disclosed
CN-113072504-B Chemical synthesis method of bosentan metabolite 四川摩尔生物制药有限公司 2022-11-22 CN disclosed
CN-113072504-B Chemical synthesis method of bosentan metabolite 四川摩尔生物制药有限公司 2022-11-22 CN disclosed
CN-113979960-B Preparation method of bilastine intermediate 南京桦冠生物技术有限公司 2022-03-18 CN disclosed
CN-113979960-A Preparation method of bilastine intermediate 南京桦冠生物技术有限公司 2022-01-28 CN disclosed
CN-113072504-A Chemical synthesis method of bosentan metabolite 四川摩尔生物制药有限公司 2021-07-06 CN disclosed
CN-113072504-A Chemical synthesis method of bosentan metabolite 四川摩尔生物制药有限公司 2021-07-06 CN disclosed
EP-3780227-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ENERGY DEVICE USING SAME Mitsubishi Chemical Corporation (JP) 2021-02-17 EP disclosed
US-20200388884-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY DEVICE INCLUDING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2020-12-10 US disclosed
CN-106415910-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-05-03 CN disclosed
CN-106415910-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2017-02-15 CN disclosed