⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL113693 | 0.88 | — | — | |
| SCHEMBL209609 | 0.84 | — | — | |
| SCHEMBL15239905 | 0.84 | — | — | |
| SCHEMBL2566476 | 0.81 | — | — | |
| SCHEMBL14436871 | 0.81 | TRPA1 (0.33) | — | |
| SCHEMBL16705717 | 0.78 | — | — | |
| SCHEMBL113855 | 0.78 | — | — | |
| SCHEMBL2565956 | 0.77 | — | — | |
| SCHEMBL14323293 | 0.76 | — | — | |
| SCHEMBL11618217 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2432827-B1 | RUBBER COMPOSITION INCLUDING AN ORGANOSILANE COUPLING AGENT | MICHELIN & CIE (FR) | 2016-04-13 | — | — | EP | disclosed |
| EP-2432786-B1 | ORGANOSILANE COUPLING AGENT | MICHELIN & CIE (FR) | 2015-05-13 | — | — | EP | disclosed |
| US-8987353-B2 | Rubber composition including an organosilane coupling agent | MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) | 2015-03-24 | — | — | US | disclosed |
| US-8987361-B2 | Organosilane coupling agent | MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) | 2015-03-24 | — | — | US | disclosed |