⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6285742 | 0.77 | — | — | |
| SCHEMBL4552436 | 0.76 | — | — | |
| SCHEMBL6323930 | 0.70 | — | — | |
| SCHEMBL6455224 | 0.69 | — | — | |
| SCHEMBL11580679 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL11580681 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL514533 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL514534 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL27810971 | 0.63 | — | — | |
| SCHEMBL15330778 | 0.62 | TP53 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2479199-B1 | POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING SAME | DAINIPPON INK & CHEMICALS (JP) | 2017-07-19 | — | — | EP | disclosed |
| US-8946374-B2 | Polyether ester composition, polyurethane resin composition, and optical material using the same | DIC CORPORATION (JP) | 2015-02-03 | — | — | US | disclosed |
| EP-2479199-A1 | POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING SAME | DIC Corporation (JP) | 2012-07-25 | — | — | EP | disclosed |
| US-20120172567-A1 | POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING THE SAME | DIC CORPORATION (JP) | 2012-07-05 | — | — | US | disclosed |