⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7671868 | 0.74 | — | — | |
| SCHEMBL8003392 | 0.74 | CA1 (0.30) | — | |
| SCHEMBL7987304 | 0.73 | — | — | |
| SCHEMBL9255369 | 0.72 | — | — | |
| SCHEMBL30423836 | 0.70 | GAA (0.34) | — | |
| SCHEMBL7996503 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL8736208 | 0.60 | CDC25B (0.38) | — | |
| SCHEMBL1516177 | 0.58 | ALDH1A1 (0.30) | — | |
| SCHEMBL18642898 | 0.58 | TRIM24 (0.47) | — | |
| SCHEMBL11549286 | 0.56 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6287749-B1 | FOR UNSATURATED COMPOUNDS | FIRST CHEMICAL CORPORATION | 2001-09-11 | — | — | US | disclosed |
| EP-0980393-A1 | BIRADICAL PHOTOINITIATORS | First Chemical Corporation (US) | 2000-02-23 | — | — | EP | disclosed |
| WO-1998050437-A1 | BIRADICAL PHOTOINITIATORS | FIRST CHEMICAL CORPORATION (US) | 1998-11-12 | — | — | WO | disclosed |