⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4891533 | 1.00 | — | — | |
| SCHEMBL4891537 | 1.00 | — | — | |
| SCHEMBL9163055 | 0.84 | — | — | |
| SCHEMBL9163059 | 0.84 | — | — | |
| SCHEMBL14616165 | 0.84 | — | — | |
| SCHEMBL12571263 | 0.84 | — | — | |
| SCHEMBL19035826 | 0.84 | — | — | |
| SCHEMBL17448398 | 0.79 | — | — | |
| SCHEMBL14306619 | 0.79 | — | — | |
| SCHEMBL13351090 | 0.79 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108912930-A | Environment-friendly water-based paint and preparation method thereof | 湖南辰砾新材料有限公司 | 2018-11-30 | — | — | CN | disclosed |
| US-20080228009-A1 | Process for Preparing 1,1,4,4-Tetraalkoxybut-2-Ene Derivatives | BASF SE (DE) | 2008-09-18 | — | — | US | disclosed |
| CN-101233263-A | Process for preparing 1,1,4,4-tetraalkoxybut-2-ene derivatives | BASF SE (DE) | 2008-07-30 | — | — | CN | disclosed |
| US-7078553-B2 | Dehydrohalogenation by reacting a di-hydroperoxy compound with an acid halogen or halogen formate to form mono- or di-peroxy ester or carbonate; polymerization initiators, curing agents for unsaturated polyesters and modifying agents | AKZO NOBEL N.V. (NL) | 2006-07-18 | — | — | US | disclosed |
| US-7029730-B2 | components of liquid-crystalline media, in particular for displays based on the twisted cell principle, the guest-host effect, the deformation of aligned phases, electrically controlled birefringence, color super homeotropic, vertically aligned or in plane switching effect or dynamic scattering effect | MERCK PATENT GMBH (DE) | 2006-04-18 | — | — | US | disclosed |
| US-20040260111-A1 | Dehydrohalogenation by reacting a di-hydroperoxy compound with an acid halogen or halogen formate to form mono- or di-peroxy ester or carbonate; polymerization initiators, curing agents for unsaturated polyesters and modifying agents | VAN DE BOVENKAMP-BOUWMAN ANNA (NL) | 2004-12-23 | — | — | US | disclosed |
| US-20040167361-A1 | Compounds of liquid crystal structure for optical devices | MERCK PATENT GMBH (DE) | 2004-08-26 | — | — | US | disclosed |
| EP-1071662-B1 | PEROXIDES, THEIR PREPARATION PROCESS AND USE | AKZO NOBEL NV (NL) | 2004-08-04 | — | — | EP | disclosed |
| US-6770774-B2 | USING A PEROXY COMPOUND AS CURING AGENT, POLYMERIZATION CATALYST | AKZO NOBEL N.V. (NL) | 2004-08-03 | — | — | US | disclosed |
| US-6552215-B1 | Reacting a hydroperoxy compound containing a peroxyester or peroxycarbonate functionality with an alkyl vinyl ether; polymerization initiators, curing agents for unsaturated polyesters and modifying agents | AKZO NOBEL N.V. (NL) | 2003-04-22 | — | — | US | disclosed |
| US-20030073861-A1 | Using a peroxy compound as curing agent, polymerization catalyst | VAN DE BOVENKAMP-BOUWMAN ANNA (NL) | 2003-04-17 | — | — | US | disclosed |
| EP-1049668-B1 | KETONE PEROXIDE DERIVATIVES, THEIR PREPARATION AND USE | AKZO NOBEL NV (NL) | 2003-03-19 | — | — | EP | disclosed |
| EP-1104401-B1 | PEROXIDES, THEIR PREPARATION PROCESS AND USE | AKZO NOBEL NV (NL) | 2002-12-04 | — | — | EP | disclosed |
| US-6482970-B1 | Peroxides, their preparation process and use | AKZO NOBEL NV (NL) | 2002-11-19 | — | — | US | disclosed |
| US-6384287-B1 | REACTING A KETONE PEROXIDE WITH AN ALKYL VINYL ETHER OR AN ACETAL IN THE PRESENCE OF A CATALYST TO YIELD COMPOUNDS AS POLYMERIZATION INITIATORS, CURING AGENTS FOR UNSATURATED POLYESTERS, AND MODIFYING AGENTS | AKZO NOBEL NV (NL) | 2002-05-07 | — | — | US | disclosed |