SCHEMBL7042686

SCHEMBL7042686

CC(=O)C(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
SCHEMBL18211452 1.00
SCHEMBL18211451 1.00
SCHEMBL18211450 1.00
SCHEMBL17860738 1.00
SCHEMBL1397155 0.81 LMNA (0.42)
SCHEMBL12737240 0.81 LMNA (0.42)
SCHEMBL13906821 0.80 TP53 (0.35)
SCHEMBL19840129 0.76
SCHEMBL167720 0.76 LMNA (0.46)
SCHEMBL71 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54115382-A None JP disclosed
JP-54103811-A None JP disclosed
CN-119529588-A Environment-friendly material for repairing pavement inspection well seat and use method 北京盛安筑达科技有限公司 2025-02-28 CN disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20170247688-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2017-08-31 US disclosed
US-9328205-B2 Iron(III) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-05-03 US disclosed
US-20150374862-A1 COMPOSITIONS AND METHODS FOR DETECTING PLECTIN-1 AS A BIOMARKER FOR CANCER UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-31 US disclosed
US-9075059-B2 Compositions and methods for detecting plectin-1 as a biomarker for cancer UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-07-07 US disclosed
US-20140371056-A1 Iron(III) Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW COMING CORPORATION (US) 2014-12-18 US disclosed
WO-2014083186-A2 IMPROVED FUEL MARKERS INTER-EURO TECHNOLOGY LIMITED (IE) 2014-06-05 WO disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
EP-0741120-B1 Polyalphaolefin dimers having low kinematic viscosities CHEVRON PHILLIPS CHEMICAL CO (US) 2003-03-26 EP disclosed
EP-0678493-B1 Controlled formation of olefin oligomers using boron trifluoride and a hydroxy carbonyl CHEVRON CHEM CO (US) 1998-12-30 EP disclosed
US-5817899-A BRANCHED OCTENE, DECENE AND TETRADECENE DIMERS CHEVRON CHEMICAL COMPANY (US) 1998-10-06 US disclosed
EP-0741120-A1 Polyalphaolefin dimers having low kinematic viscosities CHEVRON CHEMICAL COMPANY (US) 1996-11-06 EP disclosed
EP-0678493-A2 Controlled formation of olefin oligomers using boron trifluoride and a hydroxy carbonyl CHEVRON CHEMICAL COMPANY (US) 1995-10-25 EP disclosed
US-5420373-A USING BORON TRIFLUORIDE AND A HYDROXY CARBONYL PROMOTER CHEVRON CHEMICAL COMPANY (US) 1995-05-30 US disclosed
JP-S54115382-A SEPARATION OF HIGH-PURITY 8-CHLORO-4-ETHYLQUINALDINE TEIJIN LTD 1979-09-07 JP disclosed
JP-S54103811-A PRODUCTION OF 5-HYDROXY-3-HEXANONE TEIJIN LTD 1979-08-15 JP disclosed