⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13778693 | 0.97 | — | — | |
| Iodide SCHEMBL11529339 | 0.94 | — | — | |
| SCHEMBL18576935 | 0.86 | — | — | |
| SCHEMBL3669888 | 0.73 | SLC6A3 (0.36) | — | |
| SCHEMBL9450417 | 0.72 | — | — | |
| SCHEMBL9562492 | 0.69 | — | — | |
| SCHEMBL1795836 | 0.69 | — | — | |
| SCHEMBL20808119 | 0.69 | — | — | |
| SCHEMBL14834907 | 0.68 | RNPEP (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL6032324 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090192300-A1 | Side-Chain Extended Ligation | GENEPROT INC. (CH) | 2009-07-30 | — | — | US | disclosed |
| 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 |