⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1191920 | 0.96 | — | — | |
| SCHEMBL24901 | 0.91 | — | — | |
| SCHEMBL41682 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL2374906 | 0.84 | — | — | |
| SCHEMBL5855273 | 0.83 | — | — | |
| SCHEMBL15569675 | 0.80 | — | — | |
| SCHEMBL9070262 | 0.80 | — | — | |
| SCHEMBL10753120 | 0.78 | SPHK1 (0.31) | — | |
| SCHEMBL6846539 | 0.78 | — | — | |
| SCHEMBL1844205 | 0.77 | — | — |
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-20060009598-A1 | Initiator compositions | ARKEMA INC. | 2006-01-12 | — | — | US | disclosed |
| EP-1614698-A1 | Initiator compositions | Arkema Inc. (US) | 2006-01-11 | — | — | EP | disclosed |