⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2193259 | 0.92 | THRA (0.33) | — | |
| SCHEMBL12419966 | 0.90 | — | — | |
| SCHEMBL17449529 | 0.88 | THRA (0.31) | — | |
| SCHEMBL2196326 | 0.87 | THRA (0.33) | — | |
| SCHEMBL17448860 | 0.87 | — | — | |
| SCHEMBL17449443 | 0.87 | THRA (0.30) | — | |
| SCHEMBL12419984 | 0.85 | — | — | |
| SCHEMBL2194529 | 0.83 | — | — | |
| SCHEMBL2194309 | 0.83 | THRA (0.35) | — | |
| SCHEMBL2191960 | 0.82 | THRA (0.38) | — |
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-20110172457-A1 | TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2011-07-14 | — | — | US | disclosed |
| WO-2009154291-A1 | NOVEL TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NOVEL POLYNUCLEAR POLY(PHENOL) DERIVED FROM THE SAME | 本州化学工業株式会社 (JP) | 2009-12-23 | — | — | WO | disclosed |