⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7429303 | 0.93 | — | — | |
| SCHEMBL4905804 | 0.83 | — | — | |
| SCHEMBL23653211 | 0.67 | — | — | |
| SCHEMBL18927856 | 0.64 | — | — | |
| SCHEMBL28254929 | 0.62 | HCAR2 (0.38) | — | |
| SCHEMBL12158696 | 0.62 | — | — | |
| SCHEMBL14130970 | 0.61 | — | — | |
| SCHEMBL2840942 | 0.60 | CA1 (0.65) | — | |
| SCHEMBL756918 | 0.60 | CA1 (0.65) | — | |
| SCHEMBL8914547 | 0.60 | CA1 (0.65) | — |
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-118019745-A | Cyclohepta-thieno-diazapine derivatives as positive allosteric modulators of the GABAA gamma 1 receptor | 豪夫迈·罗氏有限公司 | 2024-05-10 | — | — | CN | disclosed |