⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8826432 | 0.97 | — | — | |
| SCHEMBL8826864 | 0.95 | — | — | |
| SCHEMBL8827042 | 0.95 | — | — | |
| SCHEMBL8826938 | 0.95 | — | — | |
| SCHEMBL8826537 | 0.95 | — | — | |
| SCHEMBL504795 | 0.93 | MAOA (0.31) | — | |
| SCHEMBL8826700 | 0.79 | FBP1 (0.47) | — | |
| SCHEMBL8827165 | 0.79 | FBP1 (0.46) | — | |
| SCHEMBL11805515 | 0.78 | — | — | |
| SCHEMBL2336107 | 0.78 | MMP13 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5684172-A | REACTING BENZOTHIAZOLYL MORPHOLINYL DISULFIDE WITH A MERCAPTOALKYLALKOXYSILANE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1997-11-04 | — | — | US | disclosed |