SCHEMBL11095050

SCHEMBL11095050

CCCCCC(CC)(CC)NC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 11/20 0.33
GGPS1 O95749 7/20 0.33
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
SMPD1 P17405 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
SCHEMBL21632770 0.97 TSHR (0.40) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL24136868 0.90 EPHX1 (0.33) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL2227498 0.86 TSHR (0.44) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL5382076 0.86 TSHR (0.44) EPHX1TSHRTHRBFDPSGGPS1
Hydrochloric Acid SCHEMBL31467543 0.84 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
Hydrochloric Acid SCHEMBL22577656 0.84 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
Hydrochloric Acid SCHEMBL31467545 0.84 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
Hydrochloric Acid SCHEMBL27970377 0.84 TSHR (0.42) EPHX1TSHRTHRBFDPSGGPS1
SCHEMBL1678681 0.80
Ammonia Solution, Strong SCHEMBL186203 0.80

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
US-4450114-A Process for production of sulfuric acid semiesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-22 US claimed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 US claimed
CN-104167564-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery 三菱化学株式会社 2017-04-12 CN disclosed
CN-104966849-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2015-10-07 CN disclosed
CN-102623747-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2015-02-18 CN disclosed
CN-104167564-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2014-11-26 CN disclosed
CN-102754268-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2014-11-19 CN disclosed
CN-101663790-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2010-03-03 CN disclosed
US-4450114-A Process for production of sulfuric acid semiesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-22 US disclosed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 US disclosed