⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL11024771 | 0.92 | KDM4E (0.33) | — | |
| SCHEMBL11048164 | 0.84 | KDM4E (0.33) | — | |
| SCHEMBL2683810 | 0.73 | — | — | |
| SCHEMBL27795025 | 0.73 | — | — | |
| Butane SCHEMBL11024656 | 0.70 | EGLN1 (0.49) | — | |
| SCHEMBL15359596 | 0.69 | — | — | |
| SCHEMBL3657172 | 0.68 | TSHR (0.48) | — | |
| SCHEMBL10784229 | 0.68 | ALDH1A1 (0.45) | — | |
| SCHEMBL17188657 | 0.67 | EGLN1 (0.31) | — | |
| SCHEMBL31264254 | 0.65 | GAA (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-4454073-A | HERBICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-06-12 | — | — | US | disclosed |