⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1826731 | 0.54 | — | — | |
| SCHEMBL2387121 | 0.52 | — | — | |
| SCHEMBL768641 | 0.51 | — | — | |
| SCHEMBL7274223 | 0.49 | — | — | |
| SCHEMBL11171567 | 0.47 | — | — | |
| SCHEMBL19499989 | 0.46 | CA1 (0.41) | — | |
| SCHEMBL661313 | 0.46 | — | — | |
| SCHEMBL2174072 | 0.45 | — | — | |
| SCHEMBL16657572 | 0.45 | — | — | |
| SCHEMBL12808170 | 0.44 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3414239-A2 | INHIBITORS OF RECEPTOR-INTERACTING PROTEIN KINASE 1 | Denali Therapeutics Inc. (US) | 2018-12-19 | — | — | EP | disclosed |
| WO-2017136727-A2 | COMPOUNDS, COMPOSITIONS AND METHODS | DENALI THERAPEUTICS INC. (US) | 2017-08-10 | — | — | WO | disclosed |