⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24501299 | 0.84 | PPARG (0.31) | — | |
| SCHEMBL29695036 | 0.84 | PPARG (0.31) | — | |
| SCHEMBL29108305 | 0.78 | KDM4E (0.38) | — | |
| SCHEMBL3509480 | 0.76 | GBA1 (0.33) | — | |
| SCHEMBL29695060 | 0.76 | — | — | |
| SCHEMBL24500398 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL29108457 | 0.75 | — | — | |
| SCHEMBL29694894 | 0.74 | — | — | |
| SCHEMBL29108291 | 0.74 | — | — | |
| SCHEMBL29108406 | 0.73 | ALDH1A1 (0.33) | — |
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-117083271-A | Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors | 伊迪亚生物科学有限公司 | 2023-11-17 | — | — | CN | disclosed |