⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14971313 | 0.68 | — | — | |
| SCHEMBL10042858 | 0.57 | — | — | |
| SCHEMBL3679428 | 0.49 | — | — | |
| Bromomethane SCHEMBL4620873 | 0.49 | — | — | |
| SCHEMBL4365635 | 0.49 | MEN1 (0.33) | — | |
| SCHEMBL26838 | 0.47 | — | — | |
| Nitromethane SCHEMBL28738002 | 0.47 | — | — | |
| Benzene SCHEMBL27789926 | 0.47 | ALDH1A1 (0.37) | — | |
| SCHEMBL6130418 | 0.45 | — | — | |
| Bromide SCHEMBL7292690 | 0.45 | — | — |
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-11802129-B1 | Pyrido[3,4-b]indol-1-one compounds as anticancer agents | King Faisal University (SA) | 2023-10-31 | — | — | US | disclosed |