⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6434098 | 0.68 | — | — | |
| SCHEMBL11435313 | 0.63 | — | — | |
| SCHEMBL7085705 | 0.59 | — | — | |
| SCHEMBL57549 | 0.53 | — | — | |
| SCHEMBL2205490 | 0.53 | — | — | |
| SCHEMBL358429 | 0.53 | — | — | |
| Methane SCHEMBL222390 | 0.52 | — | — | |
| Methane SCHEMBL190374 | 0.52 | — | — | |
| SCHEMBL10573078 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL1554036 | 0.52 | — | — |
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-111253404-B | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 上海医药集团股份有限公司 | 2023-05-23 | — | — | CN | disclosed |