SCHEMBL232401

SCHEMBL232401

CCC(C)OC(C)([O])CC

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
SCHEMBL1356898 0.79
SCHEMBL2016836 0.79
SCHEMBL10447818 0.74 TSHR (0.41)
SCHEMBL110670 0.73
SCHEMBL12549711 0.73
SCHEMBL9496877 0.73 TSHR (0.30)
SCHEMBL12013704 0.73
SCHEMBL31556828 0.70 TSHR (0.31)
SCHEMBL28708858 0.70
SCHEMBL14102187 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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670232-B2 Molecular precursor compounds for zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2017-06-06 US disclosed
US-9670350-B2 Polymer dispersants BASF SE (DE) 2017-06-06 US disclosed
EP-3102541-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS TRANSTRON SOLUTIONS LLC (US) 2016-12-14 EP disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-9455142-B2 Molecular precursor compounds for ABIGZO zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-09-27 US disclosed
US-9404009-B2 Polymer dispersants BASF SE (DE) 2016-08-02 US disclosed
US-9404002-B2 Molecular precursor compounds for indium gallium zinc oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-08-02 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US disclosed
US-20160102198-A1 NOVEL POLYMER DISPERSANTS BASF SE (DE) 2016-04-14 US disclosed
US-9174967-B2 Substituted pyrazole-containing compounds and their use as pesticides BASF SE (DE) 2015-11-03 US disclosed
WO-2011117213-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-09-29 WO disclosed
WO-2011117804-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-09-29 WO disclosed
WO-2011113884-A1 N-CARBOMETHOXY-N-METHOXY-(2-CHLOROMETHYL)-ANILINES, THEIR PREPARATION AND THEIR USE AS PRECURSORS FOR PREPARING 2-(PYRAZOL-3'-YLOXYMETHYLENE)-ANILIDES BASF SE (DE) 2011-09-22 WO disclosed
US-20110177944-A1 Synergistic Fungicidal Mixtures BASF SE (DE) 2011-07-21 US disclosed
WO-2011073444-A2 AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-06-23 WO disclosed
WO-2011061110-A1 FLUORINATED OXA OR THIA HETEROARYLALKYLSULFIDE DERIVATIVES FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-05-26 WO disclosed
EP-2306832-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2011-04-13 EP disclosed
WO-2011036074-A1 AMINOQUINAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-03-31 WO disclosed
WO-2011026937-A1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2011-03-10 WO disclosed
WO-2011006886-A2 AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV BASF SE (DE) 2011-01-20 WO disclosed