⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11264321 | 0.69 | — | — | |
| SCHEMBL218116 | 0.63 | — | — | |
| SCHEMBL219215 | 0.63 | — | — | |
| SCHEMBL3203936 | 0.60 | — | — | |
| SCHEMBL3203938 | 0.60 | — | — | |
| SCHEMBL3509447 | 0.59 | — | — | |
| Benzodiazepine SCHEMBL7160172 | 0.57 | GAA (0.44) | — | |
| SCHEMBL3851653 | 0.57 | KDM4E (0.34) | — | |
| SCHEMBL9384925 | 0.56 | — | — | |
| Benzodiazepine SCHEMBL6618830 | 0.56 | GAA (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230322805-A1 | NOVEL PYRIMIDODIAZEPINE DERIVATIVES OR USES THEREOF | SPARK BIOPHARMA, INC. (KR) | 2023-10-12 | — | — | US | disclosed |
| WO-2022145989-A1 | PYRIMIDODIAZEPINE DERIVATIVE AS SELECTIVE PLK1 INHIBITOR | (주) 업테라 | 2022-07-07 | — | — | WO | disclosed |
| CN-114269752-A | Crystalline forms of pyrimido-diazepine derivatives | 西克拉塞尔有限公司 | 2022-04-01 | — | — | CN | disclosed |