⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6832474 | 0.84 | — | — | |
| SCHEMBL9176836 | 0.77 | — | — | |
| Piperazine SCHEMBL27552601 | 0.74 | HIF1A (0.43) | — | |
| SCHEMBL7881539 | 0.74 | — | — | |
| SCHEMBL113397 | 0.74 | — | — | |
| SCHEMBL3495648 | 0.70 | — | — | |
| SCHEMBL8586001 | 0.70 | GBA2 (0.38) | — | |
| SCHEMBL10084425 | 0.70 | — | — | |
| SCHEMBL18889064 | 0.70 | — | — | |
| SCHEMBL9179694 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002092577-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2002-11-21 | — | — | WO | claimed |