⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17741988 | 0.83 | — | — | |
| SCHEMBL3628455 | 0.83 | TSHR (0.60) | — | |
| SCHEMBL3629254 | 0.83 | TSHR (0.60) | — | |
| SCHEMBL28992501 | 0.80 | TSHR (0.57) | — | |
| SCHEMBL3630677 | 0.80 | TSHR (0.57) | — | |
| SCHEMBL29273359 | 0.80 | TSHR (0.57) | — | |
| SCHEMBL10932800 | 0.76 | TSHR (0.67) | — | |
| SCHEMBL1343853 | 0.76 | — | — | |
| SCHEMBL3622038 | 0.76 | — | — | |
| SCHEMBL13588181 | 0.76 | TSHR (0.52) | — |
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-113767105-A | Heterocyclic compounds as inhibitors of monoacylglycerol lipases (MAGL) | 豪夫迈·罗氏有限公司 | 2021-12-07 | — | — | CN | disclosed |