SCHEMBL731115

SCHEMBL731115

CC(C)CC(C)(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
SCHEMBL21788057 0.78
SCHEMBL26625981 0.78 TP53 (0.41)
SCHEMBL5384841 0.76
SCHEMBL1069998 0.74
SCHEMBL4621480 0.73
SCHEMBL7958349 0.72 TSHR (0.34)
SCHEMBL8346893 0.72
SCHEMBL3586910 0.72
SCHEMBL5382187 0.72 MEN1 (0.32)
SCHEMBL2421671 0.71 GRIA4 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313965-B1 WORKING FLUIDS COMPRISING FLUORINATED OLEFINS AND POLYOL ESTERS LANXESS CORP (US) 2021-07-07 EP claimed
EP-1276804-B1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME UNIROYAL CHEM CO INC (US) 2006-06-14 EP claimed
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-27 US disclosed
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-09-21 US disclosed
CN-106117011-B A kind of refining methd of discrimination method production crude sodium formate byproduct from neopentyl glycol production 山东省化工研究院 2018-11-20 CN disclosed
EP-2939996-B1 GROUP 5 METAL OXO-ALKOXO COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR MANUFACTURING GROUP 5 METAL OXIDE FILM TOSOH CORP (JP) 2018-03-21 EP disclosed
US-20170196879-A1 Use of Inhibitor of Apoptosis Protein (IAP) Antagonists in HIV Therapy Sanford Burnham Prebys Medical Discovery Institute 2017-07-13 US disclosed
US-9663541-B2 Group 5 metal oxo-alkoxo complex, method for producing same, and method for manufacturing group 5 metal oxide film TOSOH CORPORATION (JP) 2017-05-30 US disclosed
US-20170081362-A1 Inhibitor of Apoptosis Protein (IAP) Antagonists SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2017-03-23 US disclosed
US-9546174-B2 Inhibitor of apoptosis protein (IAP) antagonists SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-01-17 US disclosed
US-20160290036-A1 HEAT-SHIELDING MATERIAL AND WINDOW GLASS FUJIFILM CORPORATION (JP) 2016-10-06 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US disclosed
EP-1021416-A1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP disclosed
WO-1998058914-A1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-12-30 WO disclosed
US-RE31343-E STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1983-08-09 US disclosed
US-RE31342-E STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1983-08-09 US disclosed
US-4123418-A BIS-(U8I8I8L8L-PENTAMETHY TETRAMETHYL-4-PIPERIDYL)-SUBERATE CIBA-GEIGY CORPORATION (US) 1978-10-31 US disclosed
US-4110304-A STERICALLY HINDERED CYCLIC AMINE CIBA-GEIGY CORPORATION (US) 1978-08-29 US disclosed