⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL635227 | 0.74 | — | — | |
| SCHEMBL4784920 | 0.65 | PDPK1 (0.33) | — | |
| SCHEMBL21101524 | 0.62 | ADRA1A (0.31) | — | |
| SCHEMBL7018235 | 0.59 | ALDH1A1 (0.39) | — | |
| SCHEMBL19830947 | 0.58 | — | — | |
| SCHEMBL8037381 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL28280857 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL19642820 | 0.58 | — | — | |
| SCHEMBL1437156 | 0.57 | ALDH1A1 (0.36) | — | |
| SCHEMBL25049844 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2004018462-A1 | QUINAZOLINONE DERIVATIVES | CELLTECH R & D LIMITED (GB) | 2004-03-04 | — | — | WO | disclosed |