⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22461598 | 0.76 | — | — | |
| SCHEMBL14154751 | 0.70 | — | — | |
| SCHEMBL21910888 | 0.70 | — | — | |
| SCHEMBL12111104 | 0.67 | HSD17B10 (0.31) | — | |
| SCHEMBL27357163 | 0.65 | LMNA (0.30) | — | |
| SCHEMBL13757871 | 0.65 | — | — | |
| SCHEMBL11924578 | 0.65 | — | — | |
| SCHEMBL12594238 | 0.62 | OR51E2 (0.33) | — | |
| SCHEMBL29539718 | 0.62 | — | — | |
| SCHEMBL12594237 | 0.60 | PNMT (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230331710-A1 | HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF | SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) | 2023-10-19 | — | — | US | disclosed |