⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23217954 | 0.68 | MEN1 (0.31) | — | |
| SCHEMBL22282303 | 0.59 | CHRNB2 (0.35) | — | |
| SCHEMBL23217972 | 0.57 | CHRNB2 (0.36) | — | |
| SCHEMBL19002259 | 0.56 | BLM (0.34) | — | |
| SCHEMBL22151616 | 0.56 | BLM (0.34) | — | |
| SCHEMBL29879121 | 0.56 | BLM (0.36) | — | |
| SCHEMBL7623228 | 0.56 | BLM (0.36) | — | |
| SCHEMBL13162318 | 0.54 | CHRNB2 (0.41) | — | |
| SCHEMBL5826285 | 0.53 | BLM (0.36) | — | |
| SCHEMBL5826297 | 0.53 | BLM (0.36) | — |
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-2021072140-A1 | PRODRUGS OF MYELOPEROXIDASE INHIBITORS | BIOHAVEN THERAPEUTICS LTD. (US) | 2021-04-15 | — | — | WO | disclosed |