⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28236989 | 0.89 | ALDH1A1 (0.42) | — | |
| Biphenyl SCHEMBL3836338 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL28236997 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL3273986 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL706060 | 0.80 | — | — | |
| SCHEMBL10569671 | 0.73 | — | — | |
| Butane SCHEMBL3840388 | 0.69 | — | — | |
| SCHEMBL31624444 | 0.67 | — | — | |
| SCHEMBL7924004 | 0.67 | SHBG (0.39) | — | |
| Butadiene SCHEMBL1227570 | 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 |
|---|---|---|---|---|---|---|---|
| CN-108473684-A | The manufacturing method of siloxane polymer | 东丽精细化工株式会社 | 2018-08-31 | — | — | CN | disclosed |