⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25779261 | 0.71 | — | — | |
| SCHEMBL15932002 | 0.69 | HRH4 (0.38) | — | |
| SCHEMBL2706590 | 0.69 | HRH4 (0.35) | — | |
| SCHEMBL24549487 | 0.68 | — | — | |
| SCHEMBL24549208 | 0.67 | HRH4 (0.37) | — | |
| SCHEMBL24549027 | 0.67 | HRH4 (0.37) | — | |
| SCHEMBL24549321 | 0.67 | HRH4 (0.37) | — | |
| SCHEMBL19131135 | 0.64 | WNT3A (0.33) | — | |
| SCHEMBL24549465 | 0.61 | — | — | |
| SCHEMBL19131903 | 0.61 | — | — |
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-2023109902-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF IN MEDICINE | 海思科医药集团股份有限公司 | 2023-06-22 | — | — | WO | disclosed |