SCHEMBL995497

SCHEMBL995497

O=[C]OC1=CC=CCC1=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
SCHEMBL10334721 0.78
SCHEMBL8366895 0.76
SCHEMBL2936228 0.76
SCHEMBL11217576 0.74
SCHEMBL6090690 0.72 L3MBTL1 (0.37)
SCHEMBL6824886 0.71 PDE4A (0.30)
SCHEMBL4396752 0.70
SCHEMBL4693644 0.70
SCHEMBL8471704 0.68
SCHEMBL4542505 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5127934-A STABILIZED COMPOSITIONS COMPRISING ISOTHIAZOLONES AND EPOXIDES ROHM AND HAAS COMPANY (US) 1992-07-07 US claimed
EP-2449016-A1 POLYMERS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS AND IODINE-CONTAINING COMPOUNDS Lanxess Deutschland GmbH (DE) 2012-05-09 EP disclosed
EP-2440043-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS Lanxess Deutschland GmbH (DE) 2012-04-18 EP disclosed
WO-2011000794-A1 POLYMERS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS AND IODINE-CONTAINING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2011-01-06 WO disclosed
EP-2270087-A1 Heterocyclic 3-ring connections and polymers containing iodine compounds LANXESS Deutschland GmbH (DE) 2011-01-05 EP disclosed
WO-2010142790-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO disclosed
EP-1115287-B1 STABILIZED ALKYD BASED COMPOSITIONS CONTAINING HALOPROPYNYL COMPOUNDS TROY TECHNOLOGY CORP INC (US) 2004-02-18 EP disclosed
EP-1037532-B1 STABILIZED COMPOSITION CONTAINING HALOPROPYNYL COMPOUNDS TROY TECHNOLOGY CORP INC (US) 2003-05-14 EP disclosed
US-6353021-B1 MICROBIOCIDES, UV ABSORBERS AND ORGANIC EPOXIDE SYNERGISTIC STABILITY TROY TECHNOLOGY CORPORATION, INC. 2002-03-05 US disclosed
US-6140370-A PROTECTION OF NONAQUEOUS COMPOSITIONS CONTAINING A TRANSITION METAL FROM MICROBIAL SPOILAGE USING A STABILIZED ANTIMICROBIAL COMPOSITION COMPRISING A HALOPROPYNYL COMPOUND AND AN ORGANIC EPOXIDE; PIGMENTS; ALKYD RESINS; DISCOLORATION INHIBITION TROY TECHNOLOGY CORPORATION, INC. (US) 2000-10-31 US disclosed
EP-1037532-A1 STABILIZED COMPOSITION CONTAINING HALOPROPYNYL COMPOUNDS Troy Technology Corporation, Inc. (US) 2000-09-27 EP disclosed
US-6059991-A SYNERGISTIC MIXTURE; MICROBIOCIDE TROY TECHNOLOGY CORPORATION, INC. (US) 2000-05-09 US disclosed
WO-1999029176-A1 STABILIZED COMPOSITION CONTAINING HALOPROPYNYL COMPOUNDS TROY TECHNOLOGY CORPORATION, INC. (US) 1999-06-17 WO disclosed
US-5127934-A STABILIZED COMPOSITIONS COMPRISING ISOTHIAZOLONES AND EPOXIDES ROHM AND HAAS COMPANY (US) 1992-07-07 US disclosed
EP-0342852-B1 ORGANIC STABILIZERS ROHM AND HAAS COMPANY (US) 1991-12-11 EP disclosed
EP-0342852-A1 Organic stabilizers ROHM AND HAAS COMPANY (US) 1989-11-23 EP disclosed