⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28940551 | 0.73 | — | — | |
| SCHEMBL11120812 | 0.71 | MAPT (0.32) | — | |
| SCHEMBL10873900 | 0.70 | — | — | |
| SCHEMBL31261123 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL7623339 | 0.68 | TSHR (0.39) | — | |
| Acetoacetic Acid SCHEMBL9163140 | 0.66 | — | — | |
| SCHEMBL30569580 | 0.65 | — | — | |
| SCHEMBL1317314 | 0.63 | — | — | |
| Acetoacetic Acid SCHEMBL28221327 | 0.63 | KDM4E (0.50) | — | |
| Acetoacetic Acid SCHEMBL1144213 | 0.63 | LDHA (0.57) | — |
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-106456361-B | Disposable bosom stove | 大日本除虫菊株式会社 | 2021-06-04 | — | — | CN | disclosed |