⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23717454 | 0.93 | TSHR (0.48) | — | |
| SCHEMBL21700181 | 0.91 | TSHR (0.52) | — | |
| SCHEMBL2385656 | 0.84 | — | — | |
| SCHEMBL4901806 | 0.83 | TSHR (0.52) | — | |
| SCHEMBL16297585 | 0.78 | — | — | |
| SCHEMBL4728852 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL3316659 | 0.76 | ADH1B (0.56) | — | |
| SCHEMBL21900916 | 0.76 | ADH1B (0.56) | — | |
| SCHEMBL1751213 | 0.76 | — | — | |
| SCHEMBL17166961 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080076760-A1 | 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION | WAKAMOTO PHARMACEUTICAL CO., LTD (JP) | 2008-03-27 | — | — | US | disclosed |
| EP-1820799-A1 | 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION | Wakamoto Pharmaceutical Co., Ltd. (JP) | 2007-08-22 | — | — | EP | disclosed |