SCHEMBL6722305

SCHEMBL6722305

C=CC(C)(C)CC([O])=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
SCHEMBL6717964 0.79
SCHEMBL10683916 0.79
SCHEMBL1821089 0.79
SCHEMBL11372422 0.77
SCHEMBL10953094 0.77
SCHEMBL6717967 0.77
SCHEMBL14942954 0.77
SCHEMBL23200424 0.75 ALDH1A1 (0.33)
SCHEMBL6586523 0.75 TET2 (0.35)
SCHEMBL11162420 0.73 ALDH1A1 (0.33)

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085095-A4 INTERMEDIATES AND PROCESS FOR INSECTICIDAL SYNTHETIC PYRETHROIDS. FMC CORP (US) 1984-01-10 EP claimed
EP-0085095-A1 INTERMEDIATES AND PROCESS FOR INSECTICIDAL SYNTHETIC PYRETHROIDS FMC Corporation (US) 1983-08-10 EP claimed
WO-1983000485-A1 INTERMEDIATES AND PROCESS FOR INSECTICIDAL SYNTHETIC PYRETHROIDS FMC CORP (US) 1983-02-17 WO claimed
US-10326138-B2 Charge storage material, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2019-06-18 US disclosed
US-10164258-B2 Fused-ring quinone-substituted polynorbornene, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2018-12-25 US disclosed
US-9871253-B2 Ion-conductive fused-ring quinone polymer, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2018-01-16 US disclosed
US-20170104214-A1 FUSED-RING QUINONE-SUBSTITUTED POLYNORBORNENE, ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY WASEDA UNIVERSITY (JP) 2017-04-13 US disclosed
US-20170077517-A1 ION-CONDUCTIVE FUSED-RING QUINONE POLYMER, ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY WASEDA UNIVERSITY (JP) 2017-03-16 US disclosed
US-20170077518-A1 CHARGE STORAGE MATERIAL, ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY WASEDA UNIVERSITY (JP) 2017-03-16 US disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
US-6528455-B1 Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
EP-0085095-A4 INTERMEDIATES AND PROCESS FOR INSECTICIDAL SYNTHETIC PYRETHROIDS. FMC CORP (US) 1984-01-10 EP disclosed
US-4415748-A Intermediates for insecticidal synthetic pyrethroids FMC CORPORATION (US) 1983-11-15 US disclosed
EP-0085095-A1 INTERMEDIATES AND PROCESS FOR INSECTICIDAL SYNTHETIC PYRETHROIDS FMC Corporation (US) 1983-08-10 EP disclosed
WO-1983000485-A1 INTERMEDIATES AND PROCESS FOR INSECTICIDAL SYNTHETIC PYRETHROIDS FMC CORP (US) 1983-02-17 WO disclosed