⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5734776 | 0.74 | — | — | |
| SCHEMBL16776 | 0.73 | — | — | |
| SCHEMBL316208 | 0.70 | — | — | |
| SCHEMBL891914 | 0.70 | — | — | |
| Ethylene SCHEMBL27878838 | 0.70 | — | — | |
| SCHEMBL891913 | 0.70 | — | — | |
| SCHEMBL316209 | 0.70 | — | — | |
| SCHEMBL8383024 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3522396 | 0.70 | — | — | |
| Water SCHEMBL28216861 | 0.70 | TSHR (0.41) | — |
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-113677720-A | Powder and granular material and use thereof | 株式会社钟化 | 2021-11-19 | — | — | CN | disclosed |