SCHEMBL8419665

SCHEMBL8419665

CCCCCCCCc1ccccc1OC(C)OC(C)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PPARA Q07869 2/20 0.42
LIPG Q9Y5X9 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
PPARG P37231 1/20 0.41
ADRB2 P07550 5/20 0.38
ADRB1 P08588 5/20 0.38
CYSLTR2 Q9NS75 4/20 0.38
CYSLTR1 Q9Y271 4/20 0.38

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
SCHEMBL10698028 0.98 THRA (0.45) THRATHRBPPARALIPGALOX5
SCHEMBL2234780 0.86 THRA (0.43) THRATHRBPPARALIPGALOX5
SCHEMBL7739699 0.84 THRA (0.42) THRATHRBPPARALIPGALOX5
SCHEMBL8445975 0.83 THRA (0.49) THRATHRBPPARALIPGALOX5
SCHEMBL330345 0.83 THRA (0.49) THRATHRBPPARALIPGALOX5
SCHEMBL7650228 0.83 THRA (0.49) THRATHRBPPARALIPGALOX5
Sulfuric Acid SCHEMBL9614191 0.82 THRA (0.51) THRATHRBPPARALIPGALOX5
SCHEMBL8000681 0.79 THRA (0.46) THRATHRBPPARALIPGALOX5
SCHEMBL9219522 0.79 THRA (0.46) THRATHRBPPARALIPGALOX5
SCHEMBL18140106 0.78 PPARA (0.45) THRATHRBPPARAALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024058091-A1 AQUEOUS INK COMPOSITION 株式会社カネカ 2024-03-21 WO disclosed
WO-2023171695-A1 METHOD FOR PRODUCING COMPOSITE RESIN PARTICLES, COMPOSITE RESIN PARTICLES, MOLDED BODY USING COMPOSITE RESIN PARTICLES, INK AND COATING MATERIAL 株式会社カネカ 2023-09-14 WO disclosed
EP-2821450-B1 COATING COMPOSITION AND COATING FILM OBTAINED FROM COATING COMPOSITION KANEKA CORP (JP) 2017-10-25 EP disclosed
EP-3154528-A1 SPRAY DRIED COMPOSITIONS HAVING DIFFERENT DISSOLUTION PROFILES AND PROCESSES FOR THEIR PREPARATION Mallinckrodt LLC (US) 2017-04-19 EP disclosed
WO-2015191282-A1 SPRAY DRIED COMPOSITIONS HAVING DIFFERENT DISSOLUTION PROFILES AND PROCESSES FOR THEIR PREPARATION MALLINCKRODT LLC (US) 2015-12-17 WO disclosed
US-20150011675-A1 COATING COMPOSITION AND COATING FILM OBTAINED FROM COATING COMPOSITION KANEKA CORPORATION (JP) 2015-01-08 US disclosed
EP-2821450-A1 COATING COMPOSITION AND COATING FILM OBTAINED FROM COATING COMPOSITION Kaneka Corporation (JP) 2015-01-07 EP disclosed
US-5969037-A MULTISTAGE EMULSION POLYMERIZATION OF MONOMERS TO FORM PARTICLES WITH A CORE CONTAINING SILYL VINYL MONOMERS WITH VINYL MONOMERS AND A SHELL AND CURING FOR STORAGE STABILITY, WATERPROOFING, DURABILITY AND WHITE GLOSS KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) 1999-10-19 US disclosed
EP-0842961-A1 COLD CURABLE COMPOSITION Kanegafuchi Chemical Industry Co., Ltd. (JP) 1998-05-20 EP disclosed
EP-0621325-B1 Room temperature curing composition KANEGAFUCHI CHEMICAL IND (JP) 1997-12-29 EP disclosed
US-5668194-A SHELL-CORE POLYMER FROM UNSATURATED SILICON MONOMER KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-09-16 US disclosed
US-5431853-A Modified silicone oil-in-water emulsion defoaming agent and defoaming method using it NIKKO CHEMICAL INSTITUTE INC. (JP) 1995-07-11 US disclosed
EP-0621325-A1 Room temperature curing composition Kanegafuchi Chemical Industry Co., Ltd. (JP) 1994-10-26 EP disclosed