⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4603674 | 0.70 | — | — | |
| SCHEMBL9320588 | 0.70 | — | — | |
| SCHEMBL1527739 | 0.70 | — | — | |
| SCHEMBL169919 | 0.68 | — | — | |
| SCHEMBL10455669 | 0.67 | — | — | |
| SCHEMBL13719617 | 0.59 | — | — | |
| SCHEMBL959774 | 0.59 | — | — | |
| SCHEMBL13718650 | 0.59 | — | — | |
| SCHEMBL4088649 | 0.59 | — | — | |
| SCHEMBL11814838 | 0.59 | KDM4E (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113490670-B | Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2023-06-02 | — | — | CN | disclosed |
| US-5075494-A | Process for the preparation of α-fluoroacrylic acid derivatives and new 1,1-difluoro-2-halogenoethyl (halogeno) methyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-24 | — | — | US | disclosed |