⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL759549 | 0.81 | — | — | |
| SCHEMBL15422803 | 0.79 | — | — | |
| SCHEMBL9214890 | 0.77 | — | — | |
| SCHEMBL14390402 | 0.71 | — | — | |
| SCHEMBL1537757 | 0.67 | — | — | |
| SCHEMBL13252249 | 0.65 | — | — | |
| SCHEMBL4262467 | 0.65 | — | — | |
| SCHEMBL1905585 | 0.65 | — | — | |
| SCHEMBL16423308 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL16059132 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3448849-B1 | SYNTHESIS OF INDAZOLES | Bayer Pharma AG (DE) | 2020-05-13 | — | — | EP | disclosed |