⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23365994 | 0.89 | USP2 (0.32) | — | |
| SCHEMBL20962686 | 0.89 | — | — | |
| SCHEMBL20153272 | 0.83 | — | — | |
| SCHEMBL14768445 | 0.82 | HRH3 (0.33) | — | |
| SCHEMBL24221058 | 0.79 | — | — | |
| SCHEMBL23126209 | 0.79 | USP2 (0.41) | — | |
| SCHEMBL24992260 | 0.78 | — | — | |
| SCHEMBL21527446 | 0.78 | CYP2D6 (0.33) | — | |
| SCHEMBL20353663 | 0.78 | CYP3A4 (0.33) | — | |
| SCHEMBL19300389 | 0.78 | HRH3 (0.34) | — |
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-2023116920-A1 | PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 杭州多域生物技术有限公司 | 2023-06-29 | — | — | WO | disclosed |