SCHEMBL4084863

SCHEMBL4084863

CCCOC(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
SCHEMBL23547530 0.86 TDP1 (0.32)
SCHEMBL10869033 0.85 ATM (0.37)
SCHEMBL24829882 0.81 TSHR (0.39)
SCHEMBL1536734 0.78
SCHEMBL24452789 0.75
SCHEMBL1262866 0.75
SCHEMBL22753065 0.73 GRM4 (0.32)
SCHEMBL16421596 0.72 ALDH1A1 (0.33)
SCHEMBL24603274 0.70 TDP1 (0.37)
SCHEMBL4443053 0.70 ALDH1A1 (0.32)

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 27 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
EP-3102541-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS TRANSTRON SOLUTIONS LLC (US) 2016-12-14 EP 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-9404002-B2 Molecular precursor compounds for indium gallium zinc oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-08-02 US disclosed
US-20150221772-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150218190-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221771-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150218400-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221506-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
CN-101460498-A 2-thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2009-06-17 CN disclosed
US-5248780-A Thromboxane inhibitors IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1993-09-28 US disclosed
US-5166213-A Antiischemic agents, cardiovascular disorders, antiasthmatics or antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US disclosed
EP-0201351-B1 1,3-DIOXANE ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-07 EP disclosed
US-4925869-A REACTIVATING ENZYME ACETYLCHOLINESTERASE INHIBITED BY LETHAL DOSE OF SOMAN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
US-4921979-A THROMBOXANE A2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-01 US disclosed
CN-1035115-A Pyridine derivate and preparation method thereof ICI PLC (GB) 1989-08-30 CN disclosed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 EP disclosed
US-4775684-A 1,3-dioxane ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-04 US disclosed
EP-0266979-A2 Therapeutic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed
EP-0201351-A2 1,3-Dioxane ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-12 EP disclosed