⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23829487 | 1.00 | — | — | |
| SCHEMBL1408433 | 1.00 | — | — | |
| SCHEMBL30543580 | 0.84 | SLC22A6 (0.55) | — | |
| SCHEMBL29148281 | 0.84 | SLC22A6 (0.55) | — | |
| SCHEMBL30543592 | 0.84 | LMNA (0.55) | — | |
| SCHEMBL1268269 | 0.82 | ALDH1A1 (1.00) | — | |
| SCHEMBL28428869 | 0.80 | — | — | |
| Succinic Acid SCHEMBL17975779 | 0.75 | EGLN1 (0.75) | — | |
| Succinic Acid SCHEMBL2148509 | 0.75 | EGLN1 (0.75) | — | |
| Succinic Acid SCHEMBL16415716 | 0.75 | EGLN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114729101-B | Blocked isocyanate polyurethane composition using blocking agent, method for producing the same, and use thereof | 克罗莫杰尼亚优尼兹公司 | 2024-06-21 | — | — | CN | disclosed |