SCHEMBL680097

SCHEMBL680097

C=CCC(C)[C]=O

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
SCHEMBL14142458 0.77
SCHEMBL28762363 0.74
SCHEMBL9021791 0.74
SCHEMBL2162530 0.74
SCHEMBL1004302 0.72
SCHEMBL6112732 0.72
SCHEMBL9366764 0.72
SCHEMBL6362114 0.72
SCHEMBL25565 0.71
SCHEMBL4425211 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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103664591-A Novel benzendiol derivative compound and cosmetic composition utilizing the same ACT CO LTD 2014-03-26 CN claimed
US-8486892-B2 Blood coagulation factor inhibitors NOVO NORDISK HEALTH CARE AG (CH) 2013-07-16 US claimed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US claimed
JP-2011526912-A 2011-10-20 JP claimed
CN-102083831-A Naphthyridininones as AURORA kinase inhibitors MERCK SERONO SA 2011-06-01 CN claimed
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 EP claimed
US-20110003752-A1 New Blood Coagulation Factor Inhibitors NOVO NORDISK HEALTH CARE A/G (CH) 2011-01-06 US claimed
EP-2235042-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS Novo Nordisk Health Care AG (CH) 2010-10-06 EP claimed
US-20100099880-A1 Alternate Process for Remifentanil Preparation MALLINCKRODT INC. 2010-04-22 US claimed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO claimed
EP-2125730-A2 NEW PROCESS FOR REMIFENTANIL SYNTHESIS Mallinckrodt Inc. (US) 2009-12-02 EP claimed
WO-2009092758-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (DK) 2009-07-30 WO claimed
EP-2081899-A2 ALTERNATE PROCESS FOR REMIFENTANIL PREPARATION Mallinckrodt Inc. (US) 2009-07-29 EP claimed
WO-2008066708-A2 NEW PROCESS FOR REMIFENTANIL SYNTHESIS MALLINCKRODT INC. (US) 2008-06-05 WO claimed
WO-2008045192-A2 ALTERNATE PROCESS FOR REMIFENTANIL PREPARATION MALLINCKRODT INC. (US) 2008-04-17 WO claimed
WO-2024029475-A1 WAVELENGTH CONVERSION FILM FORMING COMPOSITION 日産化学株式会社 2024-02-08 WO disclosed
US-10326138-B2 Charge storage material, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2019-06-18 US disclosed
US-4513037-A Multilayered hollow polycarbonate containers GENERAL ELECTRIC COMPANY (US) 1985-04-23 US disclosed
US-4294953-A Process for preparing a branched polycarbonate GENERAL ELECTRIC COMPANY (US) 1981-10-13 US disclosed
US-4071563-A Manufacture of pent-4-en-1-al BASF AKTIENGESELLSCHAFT (DT) 1978-01-31 US disclosed