⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21802121 | 0.89 | PPM1D (0.33) | — | |
| SCHEMBL10223230 | 0.89 | — | — | |
| SCHEMBL15520406 | 0.86 | UCHL1 (0.37) | — | |
| SCHEMBL15520404 | 0.86 | UCHL1 (0.37) | — | |
| SCHEMBL25364563 | 0.85 | ABHD6 (0.31) | — | |
| SCHEMBL3831331 | 0.85 | — | — | |
| SCHEMBL4972513 | 0.84 | FKBP1A (0.33) | — | |
| SCHEMBL4214203 | 0.84 | FKBP1A (0.33) | — | |
| SCHEMBL2957842 | 0.84 | FKBP1A (0.33) | — | |
| SCHEMBL376274 | 0.84 | PPM1D (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2708540-B1 | PYRIMIDO-DIAZEPINONE COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-07-25 | — | — | EP | disclosed |
| US-9453021-B2 | Pyrimidodiazepinone compound | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2016-09-27 | — | — | US | disclosed |
| US-20140171422-A1 | PYRIMIDODIAZEPINONE COMPOUND | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2014-06-19 | — | — | US | disclosed |
| EP-2708540-A1 | PYRIMIDO-DIAZEPINONE COMPOUND | Kyowa Hakko Kirin Co., Ltd. (JP) | 2014-03-19 | — | — | EP | disclosed |
| US-20090036357-A1 | Azapeptide derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | US | disclosed |