⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL587426 | 0.84 | — | — | |
| SCHEMBL5172991 | 0.83 | — | — | |
| SCHEMBL417868 | 0.82 | — | — | |
| SCHEMBL30925160 | 0.81 | — | — | |
| SCHEMBL5068573 | 0.79 | — | — | |
| SCHEMBL2556471 | 0.79 | OPRM1 (0.37) | — | |
| SCHEMBL7551850 | 0.79 | — | — | |
| SCHEMBL1822497 | 0.76 | — | — | |
| SCHEMBL2553702 | 0.75 | — | — | |
| SCHEMBL28891889 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113831178-B | Slow-release coated fertilizer and preparation method thereof | 山东大学 | 2023-05-30 | — | — | CN | disclosed |
| CN-113831740-B | Self-repairing organic silicon polymeric material and preparation method and application thereof | 山东大学 | 2022-11-25 | — | — | CN | disclosed |
| CN-113831740-A | Self-repairing organic silicon polymeric material and preparation method and application thereof | 山东大学 | 2021-12-24 | — | — | CN | disclosed |
| CN-113831178-A | Slow-release coated fertilizer and preparation method thereof | 山东大学 | 2021-12-24 | — | — | CN | disclosed |
| CN-101811027-A | Gas adsorbent and gas adsorption base material | NICCA CHEMICAL CO | 2010-08-25 | — | — | CN | disclosed |