⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13618933 | 0.70 | — | — | |
| SCHEMBL18050202 | 0.70 | — | — | |
| SCHEMBL4187594 | 0.70 | — | — | |
| Tert-Butanol SCHEMBL3628777 | 0.65 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL9930328 | 0.65 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.65 | — | — | |
| SCHEMBL39492 | 0.65 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL95726 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019193286-A1 | TYRE COMPRISING A RUBBER COMPOSITION COMPRISING A NOVEL POLYSULPHIDE COUPLING AGENT BEARING NITROGEN-CONTAINING ASSOCIATIVE GROUPS | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2019-10-10 | — | — | WO | disclosed |
| WO-2019193287-A1 | TYRE INCLUDING A RUBBER COMPOSITION COMPRISING A NOVEL POLYSULPHIDE COUPLING AGENT HAVING NITROGENOUS ASSOCIATIVE GROUPS | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2019-10-10 | — | — | WO | disclosed |
| EP-0686613-B1 | OZONIDE REDUCING AGENT | OTSUKA KAGAKU KK (JP) | 2001-11-14 | — | — | EP | disclosed |
| US-5770729-A | SULFIDE COMPOUND WITH POLAR SUBSTITUENTS, FORMATION OF SULFOXIDE, MILD CONDITIONS, SAFE, NONPOLLUTING | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1998-06-23 | — | — | US | disclosed |
| EP-0686613-A1 | OZONIDE REDUCING AGENT | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1995-12-13 | — | — | EP | disclosed |
| WO-1993017072-A1 | USE OF ETHERS AND/OR ESTERS OF DI(HYDROXYALKYL)SULPHONES AS PROCESSING ADDITIVES FOR THERMOPLASTIC SYNTHETIC MATERIALS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1993-09-02 | — | — | WO | disclosed |