⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8770001 | 0.82 | — | — | |
| SCHEMBL8770065 | 0.78 | — | — | |
| SCHEMBL972049 | 0.73 | — | — | |
| SCHEMBL9265182 | 0.71 | — | — | |
| SCHEMBL16656 | 0.69 | — | — | |
| SCHEMBL43047 | 0.69 | — | — | |
| SCHEMBL3342 | 0.69 | — | — | |
| SCHEMBL9545552 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL8770239 | 0.67 | — | — | |
| SCHEMBL8769406 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104761660-B | Polymerizable thioxanthone carbazoles visible light initiator containing aided initiating amine and preparation method thereof | 河南金誉包装科技股份有限公司 | 2016-08-24 | — | — | CN | claimed |
| EP-0305054-B1 | IR-ray absorptive compound and optical recording medium by use thereof | CANON KK (JP) | 1994-03-30 | — | — | EP | claimed |
| CN-104761660-B | Polymerizable thioxanthone carbazoles visible light initiator containing aided initiating amine and preparation method thereof | 河南金誉包装科技股份有限公司 | 2016-08-24 | — | — | CN | disclosed |
| US-6096741-A | FUNGICIDES, TACHYKININ ANTAGONIST | SHIONOGI & CO., LTD. (JP) | 2000-08-01 | — | — | US | disclosed |