⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30055213 | 0.85 | — | — | |
| SCHEMBL23832873 | 0.85 | — | — | |
| SCHEMBL30054478 | 0.79 | CYP11B1 (0.33) | — | |
| SCHEMBL26503987 | 0.74 | PDE9A (0.33) | — | |
| SCHEMBL30053857 | 0.72 | — | — | |
| SCHEMBL30054700 | 0.70 | — | — | |
| SCHEMBL30054577 | 0.69 | EPAS1 (0.36) | — | |
| SCHEMBL23846917 | 0.68 | — | — | |
| SCHEMBL23846911 | 0.65 | — | — | |
| SCHEMBL30054188 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115298165-A | Tetralin and tetrahydroquinoline compounds as HIF-2 alpha inhibitors | 艾库斯生物科学有限公司 | 2022-11-04 | — | — | CN | disclosed |