⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11370571 | 0.84 | — | — | |
| SCHEMBL49983 | 0.81 | KIF11 (0.31) | — | |
| SCHEMBL11144531 | 0.79 | — | — | |
| SCHEMBL9532550 | 0.78 | — | — | |
| SCHEMBL9528097 | 0.78 | — | — | |
| SCHEMBL9030688 | 0.78 | — | — | |
| SCHEMBL6608099 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL6593656 | 0.74 | — | — | |
| SCHEMBL746777 | 0.74 | — | — | |
| SCHEMBL1007315 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0560724-B1 | Benzoyl substituted phosphabicycloalcanes and their sulphides as photoinitiators | CIBA GEIGY AG (CH) | 1997-09-24 | — | — | EP | disclosed |
| US-5399782-A | Addition polymerization, paints | CIBA-GEIGY CORPORATION (US) | 1995-03-21 | — | — | US | disclosed |
| EP-0560724-A1 | Benzoyl substituted phosphabicycloalcanes and their sulphides as photoinitiators | CIBA-GEIGY AG (CH) | 1993-09-15 | — | — | EP | disclosed |