⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14760769 | 0.86 | — | — | |
| SCHEMBL1043089 | 0.78 | — | — | |
| SCHEMBL4717621 | 0.76 | CYP1A2 (0.39) | — | |
| SCHEMBL867699 | 0.76 | CYP1A2 (0.39) | — | |
| SCHEMBL11310797 | 0.76 | SIGMAR1 (0.31) | — | |
| SCHEMBL130310 | 0.76 | CYP1A2 (0.39) | — | |
| SCHEMBL868694 | 0.76 | CYP1A2 (0.39) | — | |
| SCHEMBL866107 | 0.76 | CYP1A2 (0.39) | — | |
| SCHEMBL868579 | 0.76 | CYP1A2 (0.39) | — | |
| SCHEMBL3955001 | 0.75 | GABRA1 (0.31) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3820836-A1 | COMPOSITIONS OF OXYGENATED AMINES AND QUINONE METHIDES AS ANTIFOULANTS FOR VINYLIC MONOMERS | Ecolab USA, Inc. (US) | 2021-05-19 | — | — | EP | disclosed |
| CN-112513005-A | Amine oxide and methylated quinone combination as an antifoulant for ethylene monomers | 埃科莱布美国股份有限公司 | 2021-03-16 | — | — | CN | disclosed |
| US-10869444-B2 | Compositions of oxygenated amines and quinone methides as antifoulants for vinylic monomers | ECOLAB USA INC. (US) | 2020-12-22 | — | — | US | disclosed |
| US-10100188-B2 | Compositions that can be vulcanized and that are based on ethylene/vinyl acetate copolymers containing epoxy groups | ARLANXEO DEUTSCHLAND GMBH (DE) | 2018-10-16 | — | — | US | disclosed |
| US-9868806-B2 | Compositions that can be vulcanized and that are based on nitrile rubbers containing epoxy groups | ARLANXEO DEUTSCHLAND GMBH (DE) | 2018-01-16 | — | — | US | disclosed |
| US-9725547-B2 | Vulcanisable compositions based on epoxy group-containing nitrile rubbers | ARLANXEO DEUTSCHLAND GMBH (DE) | 2017-08-08 | — | — | US | disclosed |
| US-20150203675-A1 | COMPOSITIONS THAT CAN BE VULCANIZED AND THAT ARE BASED ON ETHYLENE/VINYL ACETATE COPOLYMERS CONTAINING EPOXY GROUPS | LANXESS DEUTSCHLAND GMBH (DE) | 2015-07-23 | — | — | US | disclosed |
| US-20140378618-A1 | VULCANISABLE COMPOSITIONS BASED ON EPOXY GROUP-CONTAINING NITRILE RUBBERS | ARLANXEO DEUTSCHLAND GMBH (DE) | 2014-12-25 | — | — | US | disclosed |
| US-20140114026-A1 | COMPOSITIONS THAT CAN BE VULCANIZED AND THAT ARE BASED ON NITRILE RUBBERS CONTAINING EPOXY GROUPS | LANXESS DEUTSCHLAND GMBH (DE) | 2014-04-24 | — | — | US | disclosed |
| WO-2014006044-A1 | THERMOPLASTIC MATERIALS BASED ON POLYAMIDES AND NITRILE RUBBERS CONTAINING POLAR TERMONOMERS | LANXESS DEUTSCHLAND GMBH (DE) | 2014-01-09 | — | — | WO | disclosed |