⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL28077657 | 0.96 | — | — | |
| Butanone SCHEMBL6841308 | 0.92 | — | — | |
| Butanone SCHEMBL1039820 | 0.91 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1310 | 0.91 | — | — | |
| Butanone SCHEMBL27495689 | 0.91 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1510153 | 0.91 | — | — | |
| Butanone SCHEMBL8379087 | 0.91 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL27889685 | 0.88 | — | — | |
| Butanone SCHEMBL28107093 | 0.88 | — | — | |
| Butanone SCHEMBL20557981 | 0.87 | — | — |
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-H53-H | Processes for producing herbicide intermediates | FMC CORPORATION (US) | 1986-04-01 | — | — | US | disclosed |