⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28045107 | 0.69 | — | — | |
| SCHEMBL26628981 | 0.63 | — | — | |
| SCHEMBL14665033 | 0.61 | CYP2D6 (0.32) | — | |
| SCHEMBL14665105 | 0.59 | KDM4E (0.32) | — | |
| SCHEMBL8025488 | 0.58 | — | — | |
| SCHEMBL8734917 | 0.56 | — | — | |
| SCHEMBL27878705 | 0.55 | — | — | |
| SCHEMBL7968390 | 0.55 | FFAR3 (0.38) | — | |
| SCHEMBL14996051 | 0.55 | TDP1 (0.37) | — | |
| SCHEMBL14996045 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023275357-A1 | CASPASE-2 INHIBITOR COMPOUNDS | Kintsugi Therapeutics S.L. (ES) | 2023-01-05 | — | — | WO | disclosed |