⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3336875 | 0.82 | ESR1 (0.33) | — | |
| SCHEMBL27902511 | 0.82 | TDP1 (0.39) | — | |
| SCHEMBL595694 | 0.78 | — | — | |
| SCHEMBL596854 | 0.78 | — | — | |
| SCHEMBL597605 | 0.78 | — | — | |
| SCHEMBL457129 | 0.76 | — | — | |
| SCHEMBL27262644 | 0.76 | — | — | |
| SCHEMBL27758733 | 0.74 | LOXL2 (0.46) | — | |
| SCHEMBL27737855 | 0.74 | LOXL2 (0.41) | — | |
| SCHEMBL7476751 | 0.73 | CALM1 (0.52) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104230827-B | 1-(aryl methyl) quinazoline-2,4 (1H, 3H)-diketone is as PARP inhibitor and application thereof | 南京英派药业有限公司 | 2016-10-26 | — | — | CN | disclosed |