⚠ 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 SCHEMBL221104 | 1.00 | ALDH1A1 (0.31) | — | |
| SCHEMBL170237 | 0.74 | — | — | |
| Butane SCHEMBL6575321 | 0.73 | — | — | |
| Butane SCHEMBL7258069 | 0.68 | — | — | |
| Butane SCHEMBL4594497 | 0.68 | TSHR (0.44) | — | |
| Butane SCHEMBL2140500 | 0.68 | TSHR (0.44) | — | |
| Butane SCHEMBL17460145 | 0.68 | TSHR (0.44) | — | |
| Butane SCHEMBL22813 | 0.68 | — | — | |
| Butane SCHEMBL9292387 | 0.67 | TSHR (0.50) | — | |
| Butane SCHEMBL1734106 | 0.67 | — | — |
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-1031611-B1 | Room temperature fast curable silicone composition | SHINETSU CHEMICAL CO (JP) | 2004-07-21 | — | — | EP | disclosed |