SCHEMBL414007

SCHEMBL414007

CC1(C)COC(C)(CCBr)OC1

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
SCHEMBL14321148 0.77
SCHEMBL15137935 0.75
SCHEMBL712506 0.75 EPHX1 (0.33)
SCHEMBL909268 0.75
SCHEMBL11575260 0.75
SCHEMBL14553992 0.73
SCHEMBL14321457 0.71
SCHEMBL14552433 0.71
SCHEMBL6737496 0.71
SCHEMBL21582231 0.69 EPHX1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12176572-B2 In situ formation of solid-state polymer electrolytes for batteries CORNELL UNIVERSITY (US) 2024-12-24 US disclosed
US-20220085455-A1 IN SITU FORMATION OF SOLID-STATE POLYMER ELECTROLYTES FOR BATTERIES CORNELL UNIVERSITY 2022-03-17 US disclosed
US-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-04-27 US disclosed
US-9458178-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-10-04 US disclosed
US-20160002244-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2016-01-07 US disclosed
EP-2942350-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2015-11-11 EP disclosed
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US disclosed
US-9133197-B2 Oxidated derivatives of triazolylpurines useful as ligands of the adenosine A2A receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-09-15 US disclosed
EP-2408775-B1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA TAU IND FARMACEUTI (IT) 2015-06-17 EP disclosed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP disclosed
EP-0283309-B1 1,2-1,4 Addition reaction sequence leading to diphenylacetylenes MCNEILAB INC (US) 1995-02-15 EP disclosed
EP-0375457-B1 Cyclic ether derivatives ICI PLC (GB) 1994-03-16 EP disclosed
US-5225554-A Polyoxa tetracyclic compounds SRI INTERNATIONAL (US) 1993-07-06 US disclosed
US-5214069-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-25 US disclosed
US-5132328-A Lipoxygenase inhibitors as antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-21 US disclosed
US-5098932-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC, ICI PHARMA (FR) 1992-03-24 US disclosed
US-4963683-A Process for preparing polyoxa tetracyclic compounds SRI INTERNATIONAL (US) 1990-10-16 US disclosed
EP-0375368-A2 Alcohol and ether derivatives ZENECA LIMITED (GB) 1990-06-27 EP disclosed
EP-0283309-A2 1,2-1,4 Addition reaction sequence leading to diphenylacetylenes McNeilab, Inc. (US) 1988-09-21 EP disclosed
US-4772755-A 1,2-1,4 addition reaction sequence leading to disubstituted acelylenes MCNEILAB, INC. (US) 1988-09-20 US disclosed