⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL455980 | 0.78 | — | — | |
| SCHEMBL61322 | 0.76 | — | — | |
| SCHEMBL596317 | 0.76 | — | — | |
| SCHEMBL10461628 | 0.76 | — | — | |
| SCHEMBL1134431 | 0.74 | ACHE (0.30) | — | |
| SCHEMBL4819118 | 0.73 | AGXT (0.31) | — | |
| SCHEMBL4625366 | 0.71 | HTT (0.33) | — | |
| SCHEMBL6737555 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL146776 | 0.67 | — | — | |
| SCHEMBL7955325 | 0.66 | ACHE (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0785207-A1 | Process for the preparation of organosilicon disulfide compounds | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1997-07-23 | — | — | EP | disclosed |