⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23538004 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL28213302 | 0.81 | MCL1 (0.34) | — | |
| SCHEMBL9509975 | 0.77 | MCL1 (0.56) | — | |
| SCHEMBL3108872 | 0.77 | — | — | |
| SCHEMBL2711441 | 0.76 | CYP1A2 (0.34) | — | |
| SCHEMBL1424030 | 0.76 | — | — | |
| SCHEMBL6349134 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL24289269 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL8942894 | 0.70 | — | — | |
| SCHEMBL1300378 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111601799-B | Fused imidazole derivatives as Il-17 modulators | UCB生物制药有限责任公司 | 2023-06-09 | — | — | CN | disclosed |
| CN-115677639-A | Preparation method of tetrahydro-3-oxo-2H-pyran-4-carboxylic acid methyl ester intermediate | 枣庄市润安制药新材料有限公司 | 2023-02-03 | — | — | CN | disclosed |