⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28347452 | 0.89 | SLC6A2 (0.55) | — | |
| SCHEMBL9633105 | 0.73 | SLC6A2 (0.40) | — | |
| SCHEMBL11315800 | 0.71 | — | — | |
| SCHEMBL2792924 | 0.71 | — | — | |
| SCHEMBL1308581 | 0.71 | — | — | |
| SCHEMBL11315798 | 0.71 | — | — | |
| SCHEMBL9631477 | 0.71 | — | — | |
| SCHEMBL517255 | 0.71 | SLC6A2 (0.55) | — | |
| SCHEMBL9633419 | 0.71 | OPRM1 (0.40) | — | |
| SCHEMBL9846350 | 0.71 | SLC6A2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5120861-A | DIAZIRINE DERIVATIVES OF AROMATIC HETEROCYCLIC COMPOUNDS | SHELL RESEARCH LIMITED (GB) | 1992-06-09 | — | — | US | disclosed |
| EP-0432817-A1 | Diazirine derivatives of aromatic heterocyclic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |