⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2832858 | 0.91 | — | — | |
| SCHEMBL2829281 | 0.88 | — | — | |
| SCHEMBL2833234 | 0.87 | — | — | |
| SCHEMBL2836704 | 0.86 | — | — | |
| SCHEMBL2836763 | 0.85 | DHFR (0.36) | — | |
| SCHEMBL2834900 | 0.84 | CNR1 (0.30) | — | |
| SCHEMBL2831255 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL2836565 | 0.78 | — | — | |
| SCHEMBL2828871 | 0.76 | MEN1 (0.35) | — | |
| SCHEMBL2832860 | 0.76 | CNR1 (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 |
|---|---|---|---|---|---|---|---|
| US-20100160555-A1 | RESIN COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-06-24 | — | — | US | disclosed |
| EP-2133380-A1 | RESIN COMPOSITION | Sumitomo Chemical Company, Limited (JP) | 2009-12-16 | — | — | EP | disclosed |