⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL766978 | 0.87 | NAAA (0.44) | — | |
| SCHEMBL11156847 | 0.80 | — | — | |
| SCHEMBL28653977 | 0.77 | NAAA (0.47) | — | |
| SCHEMBL774197 | 0.73 | — | — | |
| SCHEMBL767191 | 0.71 | NAAA (0.40) | — | |
| SCHEMBL681192 | 0.70 | NAAA (0.52) | — | |
| SCHEMBL15583422 | 0.68 | NAAA (0.52) | — | |
| Methane SCHEMBL6300031 | 0.68 | NAAA (0.50) | — | |
| Ethyl Propionate SCHEMBL16045 | 0.68 | — | — | |
| Ethyl Propionate SCHEMBL1332690 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1259482-A2 | SULFUR CONTAINING COMPOUNDS | University Health Network (CA) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001062668-A2 | SULFUR CONTAINING COMPOUNDS | UNIVERSITY HEALTH NETWORK (CA) | 2001-08-30 | — | — | WO | disclosed |