⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19026018 | 0.83 | MAPK1 (0.33) | — | |
| SCHEMBL9811852 | 0.77 | — | — | |
| SCHEMBL20583878 | 0.77 | — | — | |
| SCHEMBL1503381 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL49872 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL28470907 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL9214276 | 0.75 | — | — | |
| SCHEMBL19405600 | 0.75 | TAAR1 (0.30) | — | |
| SCHEMBL8133491 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL747355 | 0.73 | TSHR (0.31) | — |
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 |