SCHEMBL329394

SCHEMBL329394

O=S(=O)(O)C1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
CYP3A4 P08684 2/20 0.55
LMNA P02545 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRG2 P18507 1/20 0.55
NFKB1 P19838 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRA6 Q16445 1/20 0.55
EPHX2 P34913 3/20 0.38
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
EPHX1 P07099 6/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL329461 1.00 TSHR (0.55) TSHRCYP3A4LMNAGABRA1GABRG2
SCHEMBL10012314 1.00 TSHR (0.55) TSHRCYP3A4LMNAGABRA1GABRG2
SCHEMBL17022282 1.00 TSHR (0.55) TSHRCYP3A4LMNAGABRA1GABRG2
SCHEMBL15586623 1.00 TSHR (0.55) TSHRCYP3A4LMNAGABRA1GABRG2
SCHEMBL3004 1.00 TSHR (0.55) TSHRCYP3A4LMNAGABRA1GABRG2
SCHEMBL2024638 1.00 TSHR (0.55) TSHRCYP3A4LMNAGABRA1GABRG2
SCHEMBL7097318 0.97 TSHR (0.52) TSHRCYP3A4LMNAGABRA1GABRG2
Hydrochloric Acid SCHEMBL11523265 0.97 TSHR (0.52) TSHRCYP3A4LMNAGABRA1GABRG2
Fluoride SCHEMBL11751487 0.97 TSHR (0.52) TSHRCYP3A4LMNAGABRA1GABRG2
SCHEMBL11696325 0.97 TSHR (0.52) TSHRCYP3A4LMNAGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646941-B Electrolyte solution for lithium secondary battery and lithium secondary battery comprising same 株式会社LG新能源 2024-07-02 CN claimed
CN-113646941-A Electrolyte solution for lithium secondary battery and lithium secondary battery including the same 株式会社LG新能源 2021-11-12 CN claimed
EP-2352198-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY COMPRISING THE SAME LG CHEMICAL LTD (KR) 2014-10-15 EP claimed
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP claimed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO claimed
JP-56120642-A None JP disclosed
CN-113646941-B Electrolyte solution for lithium secondary battery and lithium secondary battery comprising same 株式会社LG新能源 2024-07-02 CN disclosed
EP-4366733-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF LANDOS BIOPHARMA, INC. (US) 2024-05-15 EP disclosed
CN-117835980-A Tetrahydropyrazolopyridine analog ligand of NLRX1 and application thereof 朗多生物制药股份有限公司 2024-04-05 CN disclosed
EP-3927427-B1 LANTHIONINE C-LIKE PROTEIN 2 LIGANDS, CELLS PREPARED THEREWITH, AND THERAPIES USING SAME NIMMUNE BIOPHARMA INC (US) 2024-02-07 EP disclosed
US-20230357744-A1 ENGINEERED TRYPTOPHAN DECARBOXYLASES AND USES THEREOF FOR SYNTHESIZING TRYPTAMINE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-09 US disclosed
EP-4225315-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING INFLAMMATORY OR IMMUNE-MEDIATED CONDITIONS OF SURFACE TISSUES Nimmune Biopharma, Inc. (US) 2023-08-16 EP disclosed
EP-1565509-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS Crompton GmbH (DE) 2005-08-24 EP disclosed
WO-2004050742-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS CROMPTON GMBH (DE) 2004-06-17 WO disclosed
US-20030161941-A1 Transparent polythiophene layers of high conductivity BAYER AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
EP-1338617-A2 Transparant layers of Polythiophene having high conductivity Bayer Aktiengesellschaft (DE) 2003-08-27 EP disclosed
CN-1438656-A Transparent polythiofuran layer of high conductivity BAYER AG (DE) 2003-08-27 CN disclosed
JP-S56120642-A PREPARATION OF ARYL ESTER OF AROMATIC OXYCARBOXYLIC ACID TEIJIN LTD 1981-09-22 JP disclosed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 US disclosed