⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28387436 | 0.70 | OPRL1 (0.32) | — | |
| SCHEMBL28703565 | 0.69 | VHL (0.41) | — | |
| SCHEMBL27268335 | 0.68 | — | — | |
| SCHEMBL28559205 | 0.66 | VHL (0.38) | — | |
| SCHEMBL27266647 | 0.65 | HTR2C (0.32) | — | |
| SCHEMBL28011352 | 0.62 | PIN1 (0.32) | — | |
| SCHEMBL21648222 | 0.62 | — | — | |
| SCHEMBL28387239 | 0.61 | VHL (0.44) | — | |
| SCHEMBL27266754 | 0.61 | PNMT (0.40) | — | |
| SCHEMBL27729094 | 0.60 | HTR2A (0.41) | — |
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-108640901-B | Thiochroman-4-ketone thiosemicarbazone compound and preparation method and application thereof | 岭南师范学院 | 2020-04-28 | — | — | CN | disclosed |