⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9465932 | 0.62 | ALDH1A1 (0.45) | — | |
| SCHEMBL27577345 | 0.61 | ALDH1A1 (0.49) | — | |
| SCHEMBL10453837 | 0.58 | — | — | |
| SCHEMBL10585079 | 0.58 | — | — | |
| SCHEMBL9767732 | 0.58 | — | — | |
| SCHEMBL9357249 | 0.56 | — | — | |
| SCHEMBL2227308 | 0.55 | — | — | |
| SCHEMBL1406158 | 0.54 | — | — | |
| SCHEMBL15155203 | 0.49 | — | — | |
| SCHEMBL11666359 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5629355-A | Polymeric sulfonium salt photoinitiators | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1997-05-13 | — | — | US | disclosed |
| US-5550171-A | Polymeric sulfonium salt photoinitiators | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1996-08-27 | — | — | US | disclosed |