⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29767538 | 0.69 | HTR6 (0.30) | — | |
| SCHEMBL20972442 | 0.69 | HTR6 (0.30) | — | |
| SCHEMBL27555876 | 0.67 | HTR2A (0.35) | — | |
| SCHEMBL4652449 | 0.67 | HTR2A (0.39) | — | |
| SCHEMBL1028330 | 0.67 | HTR2A (0.39) | — | |
| SCHEMBL6675929 | 0.66 | HTR2A (0.37) | — | |
| SCHEMBL4652363 | 0.66 | HTR2A (0.37) | — | |
| Lithium SCHEMBL9146259 | 0.65 | HTR2A (0.38) | — | |
| Lithium SCHEMBL9143844 | 0.65 | HTR2A (0.38) | — | |
| SCHEMBL1287993 | 0.65 | HTR2A (0.38) | — |
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-110770265-B | Catalyst system and method of use thereof | 尤尼威蒂恩技术有限责任公司 | 2023-05-05 | — | — | CN | disclosed |