⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2706075 | 0.92 | THRB (0.30) | — | |
| SCHEMBL13256701 | 0.87 | THRB (0.32) | — | |
| SCHEMBL11987165 | 0.86 | — | — | |
| SCHEMBL14125268 | 0.86 | THRB (0.32) | — | |
| SCHEMBL10154335 | 0.85 | — | — | |
| SCHEMBL14125278 | 0.82 | THRB (0.33) | — | |
| SCHEMBL237192 | 0.82 | RXRA (0.37) | — | |
| SCHEMBL29353638 | 0.82 | RXRA (0.37) | — | |
| SCHEMBL29464292 | 0.82 | RXRA (0.37) | — | |
| SCHEMBL11987167 | 0.82 | THRB (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101563418-A | Vinyl chloride resin composition | ADEKA CORP (JP) | 2009-10-21 | — | — | CN | disclosed |
| CN-101541881-A | Waterproof sheet | ADEKA CORP (JP) | 2009-09-23 | — | — | CN | disclosed |