⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15004 | 0.97 | — | — | |
| SCHEMBL4354008 | 0.97 | TSHR (0.50) | — | |
| SCHEMBL30637266 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL28509086 | 0.94 | — | — | |
| Phosphine SCHEMBL27710720 | 0.94 | — | — | |
| Dimethylamine SCHEMBL543057 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4773602 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL28641407 | 0.94 | TSHR (0.48) | — | |
| Ethylene SCHEMBL28093426 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL27647415 | 0.94 | TSHR (0.48) | — |
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-109563207-A | The manufacturing method of resin combination and its purposes and resin combination | 日本合成化学工业株式会社 | 2019-04-02 | — | — | CN | disclosed |