⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14564595 | 0.80 | — | — | |
| SCHEMBL12345761 | 0.79 | — | — | |
| SCHEMBL14578282 | 0.67 | — | — | |
| SCHEMBL14564596 | 0.65 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL23730106 | 0.58 | P2RX7 (0.41) | — | |
| SCHEMBL1145847 | 0.58 | — | — | |
| SCHEMBL14008411 | 0.58 | — | — | |
| SCHEMBL3134427 | 0.57 | SMN1; SMN2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL4555273 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL4555272 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7994182-B2 | Quinazolinone-derivatives and their use for preparation of pharmaceutical compositions having PARP enzyme inhibitory effect | PECSI TUDOMANYEGYETEM (HU) | 2011-08-09 | — | — | US | disclosed |