SCHEMBL4920593

SCHEMBL4920593

C=CCC([C]=O)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
SCHEMBL4425211 0.84
SCHEMBL21683512 0.81
SCHEMBL5133855 0.76
SCHEMBL2163229 0.75
SCHEMBL6528150 0.75
SCHEMBL689863 0.74
SCHEMBL11781031 0.73
SCHEMBL11662002 0.71
SCHEMBL9660683 0.70
SCHEMBL2163630 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110423040-A A kind of concrete cracking resistance antifreezing agent Mo Jieyong 2019-11-08 CN claimed
EP-1708679-B1 PHARMACEUTICAL SPRAY FORMULATION COMPRISING A HYDRO FLUOR ALKANE AND AN ACYLATED CYCLODEXTRIN ASTRAZENECA AB (SE) 2008-11-12 EP claimed
US-20080029455-A1 Separation Methods NOVEXIN LIMITED (GB) 2008-02-07 US claimed
CN-101087600-A Pharmaceutical spray formulation comprising a hydro fluor alkane and an acylated cyclodextrin ASTRAZENECA AB (SE) 2007-12-12 CN claimed
US-20070104652-A1 Pharmaceutical spray formulation comprising a hydro fluor alkane and an acylated cyclodextrin ASTRAZENECA AB (SE) 2007-05-10 US claimed
EP-1708679-A2 PHARMACEUTICAL SPRAY FORMULATION COMPRISING A HYDRO FLUOR ALKANE AND AN ACYLATED CYCLODEXTRIN AstraZeneca AB (SE) 2006-10-11 EP claimed
EP-1689769-A1 SEPARATION METHODS Novexin Limited (GB) 2006-08-16 EP claimed
WO-2005053637-A2 PHARMACEUTICAL SPRAY FORMULATION COMPRISING A HYPRO FLUOR ALKANE AMD AN ACYLATED CYCLODEXTRIN ASTRAZENECA AB (SE) 2005-06-16 WO claimed
WO-2005047310-A1 SEPARATION METHODS NOVEXIN LIMITED (GB) 2005-05-26 WO claimed
CN-1126589-C Surfactants ICI PLC (GB) 2003-11-05 CN claimed
CN-1248927-A Surfactants ICI PLC (GB) 2000-03-29 CN claimed
CN-113811365-A Personal wash compositions and methods for achieving improved conditioning benefits 巴斯夫欧洲公司 2021-12-17 CN disclosed
CN-110423040-A A kind of concrete cracking resistance antifreezing agent Mo Jieyong 2019-11-08 CN disclosed
CN-110170492-A A kind of cleaning device suitable for suction sputum air bag 南通市第一人民医院 2019-08-27 CN disclosed
CN-109366990-A Additive manufacturing device with 3D control unit 南通理工学院 2019-02-22 CN disclosed
CN-1126589-C Surfactants ICI PLC (GB) 2003-11-05 CN disclosed
CN-1248927-A Surfactants ICI PLC (GB) 2000-03-29 CN disclosed
WO-1998054162-A1 PREPARATION OF ALKYL 4,5-DIHYDRO-η,5-DIOXO-2-ARYL-4-OXAZOLEBUTANOATES FINETECH LTD. (IL) 1998-12-03 WO disclosed
US-4737538-A THERMOSETTING ACETYLENE TERMINATED POLYAMIDE, UNSATURATED CROSSLINKER, FILLER, FREE RADICAL INITIATOR, BUTADIENE-STYRENE BLOCK POLYMER SHELL OIL COMPANY (US) 1988-04-12 US disclosed
US-3967989-A High energy propellant compositions including vinyl decaborane-polyester copolymer binder ROHM AND HAAS COMPANY (US) 1976-07-06 US disclosed