⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2575287 | 0.93 | — | — | |
| SCHEMBL2571270 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL2574239 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL14949019 | 0.73 | ABCB11 (0.30) | — | |
| SCHEMBL2569305 | 0.72 | HSD17B10 (0.35) | — | |
| SCHEMBL10455228 | 0.71 | TSHR (0.45) | — | |
| SCHEMBL2492639 | 0.68 | TSHR (0.41) | — | |
| SCHEMBL26494953 | 0.65 | — | — | |
| SCHEMBL2573771 | 0.65 | HSD17B10 (0.35) | — | |
| SCHEMBL13375682 | 0.63 | TSHR (0.60) | — |
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-1637526-B1 | CURABLE POLYCYCLIC COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF | TOKUYAMA CORP (JP) | 2011-11-09 | — | — | EP | disclosed |
| US-7754903-B2 | adamantyl diglycidyl ether or 1-adamantanol epichlorohydrin adduct curable to polyepoxides; encapsulant for light-emitting diode; superior optical properties, heat resistance, photostability, and shrinkage inhibition | TOKUYAMA CORPORATION (JP) | 2010-07-13 | — | — | US | disclosed |
| US-20060252911-A1 | adamantyl diglycidyl ether or 1-adamantanol epichlorohydrin adduct curable to polyepoxides; encapsulant for light-emitting diode; superior optical properties, heat resistance, photostability, and shrinkage inhibition | TOKYUYAMA CORPORATION (JP) | 2006-11-09 | — | — | US | disclosed |
| EP-1637526-A1 | CURABLE POLYCYCLIC COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF | TOKUYAMA CORPORATION (JP) | 2006-03-22 | — | — | EP | disclosed |