⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL606948 | 0.84 | — | — | |
| SCHEMBL440477 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL10981538 | 0.76 | CA1 (0.36) | — | |
| SCHEMBL23735488 | 0.74 | KDM4E (0.44) | — | |
| SCHEMBL28436629 | 0.73 | KDM5B (0.42) | — | |
| SCHEMBL16238142 | 0.71 | KDM4E (0.41) | — | |
| SCHEMBL4962666 | 0.71 | — | — | |
| Acrylic Acid SCHEMBL38652550 | 0.71 | LMNA (0.59) | — | |
| SCHEMBL28454671 | 0.69 | — | — | |
| SCHEMBL3939931 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5411967-A | Antiinflammatory, immunosuppressant, antitumor | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-05-02 | — | — | US | claimed |
| CN-113929680-A | Heterocyclic compounds and their use in the prevention or treatment of bacterial infections | 拜欧蒂姆公司 | 2022-01-14 | — | — | CN | disclosed |
| CN-109906226-B | Heterocyclic compounds and their use in the prevention or treatment of bacterial infections | 拜欧蒂姆公司 | 2021-11-02 | — | — | CN | disclosed |
| US-5411967-A | Antiinflammatory, immunosuppressant, antitumor | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-05-02 | — | — | US | disclosed |