⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4443259 | 0.94 | — | — | |
| SCHEMBL51414 | 0.80 | — | — | |
| SCHEMBL5703243 | 0.80 | MGLL (0.36) | — | |
| SCHEMBL4449852 | 0.79 | — | — | |
| SCHEMBL3853819 | 0.78 | — | — | |
| SCHEMBL3851088 | 0.77 | — | — | |
| SCHEMBL379936 | 0.77 | — | — | |
| SCHEMBL39563 | 0.77 | — | — | |
| SCHEMBL16263898 | 0.77 | — | — | |
| Charcoal, Activated SCHEMBL7918760 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |