⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10984598 | 0.78 | — | — | |
| SCHEMBL406748 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL497915 | 0.73 | — | — | |
| SCHEMBL7610180 | 0.71 | TDP1 (0.35) | — | |
| SCHEMBL455345 | 0.71 | — | — | |
| SCHEMBL7831495 | 0.71 | — | — | |
| SCHEMBL992383 | 0.70 | — | — | |
| SCHEMBL24076790 | 0.69 | — | — | |
| SCHEMBL23182420 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL19387714 | 0.67 | ALDH1A1 (0.32) | — |
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-5091521-A | Antitumor agents | BEHRINGWERKE AKTIENGESELLSCHAFT (DE) | 1992-02-25 | — | — | US | disclosed |