SCHEMBL430968

SCHEMBL430968

[CH]OC(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Cyanide SCHEMBL6670048 0.60
SCHEMBL34902 0.60
SCHEMBL1331944 0.59
SCHEMBL7240952 0.59
SCHEMBL1296 0.59
SCHEMBL45125 0.59
SCHEMBL10940023 0.59
SCHEMBL28095 0.59
SCHEMBL13244415 0.56
Water SCHEMBL2929026 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN claimed
CN-113072521-A ROR gamma t inhibitor and application thereof in medicine 广东东阳光药业有限公司 2021-07-06 CN claimed
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 CN claimed
CN-109071699-B Metallocene supported catalyst and method for preparing polypropylene using the same LG化学株式会社 2021-01-22 CN claimed
EP-3421506-B1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PRODUCING POLYPROPYLENE USING SAME LG CHEMICAL LTD (KR) 2020-12-02 EP claimed
WO-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 WO claimed
EP-2595948-B1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LTD (IE) 2019-09-04 EP claimed
US-20190106516-A1 Metallocene Supported Catalyst And Method For Preparing Polypropylene Using The Same LG CHEM, LTD. (KR) 2019-04-11 US claimed
EP-3421506-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PRODUCING POLYPROPYLENE USING SAME LG Chem, Ltd. (KR) 2019-01-02 EP claimed
CN-109071699-A Metallocene loaded catalyst and polyacrylic method is prepared using it LG化学株式会社 2018-12-21 CN claimed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US claimed
US-20110190340-A1 BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-08-04 US claimed
EP-2313374-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES Sanofi-Aventis (FR) 2011-04-27 EP claimed
EP-2303845-A2 BI-AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINE DERIVATIVES AS RHO KINASE INHIBITORS Sanofi-Aventis (FR) 2011-04-06 EP claimed
WO-2009156092-A2 BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-30 WO claimed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 WO claimed
EP-0692011-B1 FUEL COMPOSITIONS SHELL INT RESEARCH (NL) 1996-11-06 EP claimed
EP-0692011-A1 FUEL COMPOSITIONS SHELL INT RESEARCH (NL) 1996-01-17 EP claimed
WO-1994022984-A1 FUEL COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-10-13 WO claimed
US-5352251-A Cyclic amide alkoxylate compounds; gasoline additives to decrease intake valve deposits and control octane requirement increase SHELL OIL COMPANY (US) 1994-10-04 US claimed