⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11828711 | 0.83 | — | — | |
| SCHEMBL9819623 | 0.64 | — | — | |
| SCHEMBL8759917 | 0.64 | — | — | |
| SCHEMBL9793420 | 0.64 | — | — | |
| SCHEMBL8135112 | 0.61 | — | — | |
| SCHEMBL6589627 | 0.60 | — | — | |
| SCHEMBL6589623 | 0.60 | — | — | |
| SCHEMBL11787729 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL7521292 | 0.58 | — | — | |
| SCHEMBL6141405 | 0.57 | — | — |
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-4000275-A | BENZIMIDAZO(2,1-B) QUINAZOLIN-12(6H)ONES | ELI LILLY AND COMPANY (US) | 1976-12-28 | — | — | US | disclosed |