⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9562464 | 0.98 | — | — | |
| SCHEMBL538213 | 0.76 | — | — | |
| SCHEMBL741646 | 0.74 | — | — | |
| SCHEMBL11437150 | 0.72 | — | — | |
| SCHEMBL1973593 | 0.71 | — | — | |
| SCHEMBL283712 | 0.71 | — | — | |
| SCHEMBL11880815 | 0.71 | CYP2C19 (0.31) | — | |
| SCHEMBL9245613 | 0.71 | — | — | |
| SCHEMBL28388992 | 0.71 | — | — | |
| SCHEMBL3414491 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0316942-B1 | MANUFACTURE OF DISULFIDES | PHILLIPS PETROLEUM COMPANY (US) | 1993-04-14 | — | — | EP | disclosed |
| US-4868336-A | CATALYTIC OXIDATION OF MERCAPTAN | PHILLIPS PETROLEUM COMPANY (US) | 1989-09-19 | — | — | US | disclosed |
| EP-0316942-A2 | Manufacture of disulfides | PHILLIPS PETROLEUM COMPANY (US) | 1989-05-24 | — | — | EP | disclosed |