⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3959158 | 0.79 | — | — | |
| SCHEMBL3955461 | 0.79 | — | — | |
| SCHEMBL7191445 | 0.70 | — | — | |
| Butane SCHEMBL712996 | 0.69 | — | — | |
| SCHEMBL18832096 | 0.65 | — | — | |
| SCHEMBL4708319 | 0.65 | — | — | |
| SCHEMBL2209110 | 0.65 | — | — | |
| Butane SCHEMBL27301811 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL3952597 | 0.64 | — | — | |
| Decane SCHEMBL3978824 | 0.63 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009029062-A1 | PROCESS FOR MAKING A PLANT GROWTH REGULATOR | RHODIA INC. (US) | 2009-03-05 | — | — | WO | disclosed |