⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29448581 | 0.69 | — | — | |
| SCHEMBL10345940 | 0.63 | — | — | |
| SCHEMBL29916509 | 0.63 | — | — | |
| SCHEMBL17080992 | 0.63 | — | — | |
| SCHEMBL5868568 | 0.60 | — | — | |
| SCHEMBL3203938 | 0.60 | — | — | |
| SCHEMBL3203936 | 0.60 | — | — | |
| Benzodiazepine SCHEMBL8137 | 0.57 | GAA (0.44) | — | |
| Benzodiazepine SCHEMBL7160172 | 0.57 | GAA (0.44) | — | |
| SCHEMBL3851653 | 0.57 | KDM4E (0.34) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315932-A | AND SULFANILAMIDES | BURROUGHS WELLCOME CO. (US) | 1982-02-16 | — | — | US | disclosed |
| US-4315932-A | AND SULFANILAMIDES | BURROUGHS WELLCOME CO. (US) | 1982-02-16 | — | — | US | disclosed |
| EP-0000541-B1 | 1H-PYRIMIDO-(4,5-C)-1,2-DIAZEPINES, METHODS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM; THEIR USE AS INTERMEDIATES FOR HETEROCYCLIC TRANSFORMATIONS. | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-02-03 | — | — | EP | disclosed |
| EP-0000541-B1 | 1H-PYRIMIDO-(4,5-C)-1,2-DIAZEPINES, METHODS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM; THEIR USE AS INTERMEDIATES FOR HETEROCYCLIC TRANSFORMATIONS. | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-02-03 | — | — | EP | disclosed |
| US-4288365-A | 1H-PYRIMIDO(4,5-C)-1,2-DIAZEPINES | BURROUGHS WELLCOME CO. (US) | 1981-09-08 | — | — | US | disclosed |
| US-4260758-A | MICROBIOCIDES | BURROUGHS WELLCOME CO. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4235905-A | MICROBIOCIDES AND AS CHEMICAL INTERMEDIATES PREPARED FROM 6-(1-METHYL-HYDRAZINO) ISOCYTOSINE AND AN X,7-DICARBONYL COMPOUND | BURROUGHS WELLCOME CO. (US) | 1980-11-25 | — | — | US | disclosed |
| EP-0000541-A3 | 1H-PYRIMIDO-(4,5-C)-1,2-DIAZEPINES, METHODS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM; THEIR USE AS INTERMEDIATES FOR HETEROCYCLIC TRANSFORMATIONS. | — | 1979-07-11 | — | — | EP | disclosed |
| EP-0000541-A2 | 1H-Pyrimido-(4,5-c)-1,2-diazepines, methods for their preparation and compositions containing them; their use as intermediates for heterocyclic transformations. | THE WELLCOME FOUNDATION LIMITED (GB) | 1979-02-07 | — | — | EP | disclosed |