⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3850076 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL4445525 | 0.86 | — | — | |
| SCHEMBL6772847 | 0.78 | — | — | |
| SCHEMBL3830692 | 0.77 | CYP1A2 (0.39) | — | |
| SCHEMBL5703252 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL5703224 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL3851050 | 0.75 | — | — | |
| SCHEMBL28058205 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL51414 | 0.74 | — | — | |
| SCHEMBL5703243 | 0.74 | MGLL (0.36) | — |
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-1409581-B1 | RUBBER COMPOSITION FOR TYRE COMPRISING A COUPLING AGENT WITH POLYTHIOSULPHENAMIDE FUNCTION | MICHELIN SOC TECH (FR) | 2009-09-09 | — | — | EP | disclosed |
| US-7351759-B2 | Rubber composition for a tire comprising a coupling agent having a polythiosulfenamide function | MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) | 2008-04-01 | — | — | US | disclosed |
| US-7351759-B2 | Rubber composition for a tire comprising a coupling agent having a polythiosulfenamide function | MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) | 2008-04-01 | — | — | US | disclosed |
| EP-1399451-B1 | ORGANOSILICON COMPOUNDS THAT CAN BE USED AS A COUPLING AGENT | RHODIA CHIMIE SA (FR) | 2006-03-15 | — | — | EP | disclosed |
| US-20040254269-A1 | Organosilicon compounds that can be used as a coupling agent | RHODIA CHIMIE (FR) | 2004-12-16 | — | — | US | disclosed |
| US-20040181000-A1 | Rubber composition for a tire comprising a coupling agent having a polythiosulfenamide function | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2004-09-16 | — | — | US | disclosed |
| EP-1409581-A1 | RUBBER COMPOSITION FOR TYRE COMPRISING A COUPLING AGENT WITH POLYTHIOSULPHENAMIDE FUNCTION | Société de Technologie Michelin (FR) | 2004-04-21 | — | — | EP | disclosed |
| EP-1399451-A1 | ORGANOSILICON COMPOUNDS THAT CAN BE USED AS A COUPLING AGENT | RHODIA CHIMIE (FR) | 2004-03-24 | — | — | EP | disclosed |
| WO-2003002574-A1 | ORGANOSILICON COMPOUNDS THAT CAN BE USED AS A COUPLING AGENT | RHODIA CHIMIE (FR) | 2003-01-09 | — | — | WO | disclosed |
| WO-2003002653-A1 | RUBBER COMPOSITION FOR TYRE COMPRISING A COUPLING AGENT WITH POLYTHIOSULPHENAMIDE FUNCTION | SOCIETE DE TECHNOLOGIE MICHELIN (FR) | 2003-01-09 | — | — | WO | disclosed |