⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2012601 | 0.84 | PDE4B (0.33) | — | |
| SCHEMBL3603211 | 0.82 | PDE4B (0.35) | — | |
| SCHEMBL3496965 | 0.78 | CHRM4 (0.31) | — | |
| SCHEMBL10372775 | 0.78 | GBA1 (0.36) | — | |
| SCHEMBL1723710 | 0.77 | PDK2 (0.33) | — | |
| SCHEMBL1724091 | 0.75 | PDK2 (0.39) | — | |
| SCHEMBL1724019 | 0.74 | PIM1 (0.39) | — | |
| SCHEMBL207230 | 0.73 | — | — | |
| SCHEMBL28693275 | 0.72 | CHRM2 (0.38) | — | |
| SCHEMBL1722878 | 0.71 | PDK2 (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118019742-A | Novel benzodiazepine derivatives as GABA Aγ1 PAM | 豪夫迈·罗氏有限公司 | 2024-05-10 | — | — | CN | claimed |
| 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 | claimed |
| WO-2011073273-A1 | BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | claimed |
| WO-2011073277-A1 | PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS Kv1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | claimed |
| 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 |
| CN-118019742-A | Novel benzodiazepine derivatives as GABA Aγ1 PAM | 豪夫迈·罗氏有限公司 | 2024-05-10 | — | — | CN | disclosed |
| WO-2011073277-A1 | PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS Kv1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | disclosed |
| WO-2011073273-A1 | BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | disclosed |