⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28066540 | 1.00 | — | — | |
| SCHEMBL15069469 | 0.92 | MEN1 (0.37) | — | |
| SCHEMBL15069194 | 0.92 | MEN1 (0.37) | — | |
| SCHEMBL21643665 | 0.81 | PARP1 (0.53) | — | |
| SCHEMBL21643633 | 0.81 | PARP1 (0.53) | — | |
| SCHEMBL20640047 | 0.80 | — | — | |
| SCHEMBL20640044 | 0.80 | — | — | |
| SCHEMBL19469170 | 0.78 | MEN1 (0.39) | — | |
| SCHEMBL3398748 | 0.77 | MEN1 (0.46) | — | |
| SCHEMBL631604 | 0.76 | PARP1 (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106220635-B | The dihydro diaza * and carbazole ketone at the condensed Fourth Ring or five rings as PARP inhibitor | 百济神州有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-106220635-A | As the Fourth Ring condensed of PARP inhibitor or the dihydro diaza * at five rings carbazole ketone | 百济神州有限公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-103703004-B | Fused tetracyclic or pentacyclic dihydrodiaza-carbazolones as PARP inhibitors | 百济神州有限公司 | 2016-06-29 | — | — | CN | disclosed |