⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23612038 | 0.80 | NEK2 (0.31) | — | |
| SCHEMBL28272321 | 0.79 | TRIM24 (0.33) | — | |
| SCHEMBL3674258 | 0.79 | KCNH2 (0.34) | — | |
| SCHEMBL12692012 | 0.78 | PDE7B (0.31) | — | |
| SCHEMBL8826215 | 0.76 | PDE7B (0.33) | — | |
| SCHEMBL134965 | 0.76 | TRIM24 (0.35) | — | |
| Ethylene SCHEMBL17611952 | 0.76 | KCNH2 (0.33) | — | |
| SCHEMBL17230058 | 0.74 | — | — | |
| SCHEMBL18398850 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL31387388 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230128062-A1 | AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2023-04-27 | — | — | US | disclosed |
| US-20230128062-A1 | AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2023-04-27 | — | — | US | disclosed |