⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28614619 | 0.97 | — | — | |
| SCHEMBL24414872 | 0.82 | — | — | |
| SCHEMBL20880512 | 0.82 | — | — | |
| SCHEMBL12173634 | 0.82 | — | — | |
| SCHEMBL6888123 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL15542241 | 0.80 | — | — | |
| SCHEMBL22415818 | 0.80 | — | — | |
| SCHEMBL11524261 | 0.75 | — | — | |
| SCHEMBL28621789 | 0.75 | — | — | |
| SCHEMBL23967225 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118221655-A | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-06-21 | — | — | CN | disclosed |
| CN-112279759-B | Method for synthesizing 2-fluorocyclobutyl methylamine and intermediate thereof | 南京富润凯德生物医药有限公司 | 2023-10-03 | — | — | CN | disclosed |
| CN-112279759-B | Method for synthesizing 2-fluorocyclobutyl methylamine and intermediate thereof | 南京富润凯德生物医药有限公司 | 2023-10-03 | — | — | CN | disclosed |
| CN-112279759-B | Method for synthesizing 2-fluorocyclobutyl methylamine and intermediate thereof | 南京富润凯德生物医药有限公司 | 2023-10-03 | — | — | CN | disclosed |