⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27525432 | 0.97 | — | — | |
| SCHEMBL2370 | 0.97 | — | — | |
| SCHEMBL27881293 | 0.94 | — | — | |
| SCHEMBL28325539 | 0.94 | — | — | |
| SCHEMBL28247707 | 0.94 | — | — | |
| SCHEMBL28342367 | 0.94 | — | — | |
| SCHEMBL27761373 | 0.94 | — | — | |
| SCHEMBL28217915 | 0.94 | — | — | |
| SCHEMBL28874132 | 0.94 | — | — | |
| SCHEMBL27278238 | 0.94 | — | — |
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-103732374-B | Irradiation and shaping unit | 迈图高新材料股份有限公司 | 2018-10-30 | — | — | CN | disclosed |