⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8826399 | 1.00 | — | — | |
| SCHEMBL8827011 | 1.00 | — | — | |
| SCHEMBL8826967 | 1.00 | — | — | |
| SCHEMBL505242 | 0.98 | — | — | |
| SCHEMBL8826433 | 0.93 | — | — | |
| SCHEMBL5671457 | 0.89 | — | — | |
| SCHEMBL11782673 | 0.77 | — | — | |
| SCHEMBL23526643 | 0.74 | — | — | |
| SCHEMBL11780631 | 0.74 | — | — | |
| SCHEMBL2952960 | 0.74 | — | — |
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-5684171-A | FROM DITHIODIMORPHOLINE AND A MERCAPTOSILANE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1997-11-04 | — | — | US | disclosed |
| US-5684172-A | REACTING BENZOTHIAZOLYL MORPHOLINYL DISULFIDE WITH A MERCAPTOALKYLALKOXYSILANE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1997-11-04 | — | — | US | disclosed |