⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL73934 | 0.97 | — | — | |
| Fluoride SCHEMBL28006656 | 0.94 | — | — | |
| Benzene SCHEMBL28086885 | 0.94 | AURKA (0.46) | — | |
| Hydrochloric Acid SCHEMBL5652646 | 0.94 | — | — | |
| SCHEMBL19838559 | 0.94 | — | — | |
| SCHEMBL27969159 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL29144528 | 0.94 | — | — | |
| Cyclohexane SCHEMBL9980447 | 0.88 | AURKA (0.42) | — | |
| Pyrrole SCHEMBL27278443 | 0.86 | AURKA (0.41) | — | |
| SCHEMBL15577261 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116082212-A | Dipyrrole compound and preparation method thereof | 天津大学 | 2023-05-09 | — | — | CN | disclosed |