⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29694740 | 1.00 | — | — | |
| SCHEMBL868057 | 0.81 | CHRNB2 (0.32) | — | |
| SCHEMBL29108256 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL30640167 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL30640083 | 0.77 | MAPT (0.32) | — | |
| SCHEMBL29108328 | 0.77 | MAPT (0.32) | — | |
| SCHEMBL29108409 | 0.77 | — | — | |
| SCHEMBL29694713 | 0.77 | — | — | |
| SCHEMBL7576816 | 0.69 | ADRA2A (0.43) | — | |
| SCHEMBL3130831 | 0.68 | CYP19A1 (0.38) | — |
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 |