⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8538777 | 0.79 | — | — | |
| SCHEMBL7600576 | 0.74 | — | — | |
| SCHEMBL8536894 | 0.72 | — | — | |
| SCHEMBL5694299 | 0.72 | — | — | |
| SCHEMBL20678520 | 0.68 | — | — | |
| SCHEMBL11026373 | 0.67 | — | — | |
| SCHEMBL485856 | 0.66 | — | — | |
| SCHEMBL3216331 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL16353927 | 0.64 | — | — | |
| SCHEMBL11689918 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113698382-B | Novel thioxanthone visible light initiator and preparation method and application thereof | 武汉大学 | 2022-06-14 | — | — | CN | disclosed |