⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20921418 | 0.95 | — | — | |
| SCHEMBL22294679 | 0.84 | ESR1 (0.31) | — | |
| SCHEMBL18328349 | 0.74 | ESR2 (0.49) | — | |
| SCHEMBL18328345 | 0.73 | — | — | |
| SCHEMBL18328353 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL30541551 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL21416417 | 0.69 | PDK2 (0.30) | — | |
| SCHEMBL18807543 | 0.69 | LIPG (0.38) | — | |
| SCHEMBL27403552 | 0.69 | ACACA (0.55) | — | |
| SCHEMBL24034823 | 0.68 | PPARG (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3115395-A1 | POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING DEVICE | Mitsubishi Chemical Corporation (JP) | 2017-01-11 | — | — | EP | disclosed |
| US-20160372676-A1 | POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING DEVICE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-12-22 | — | — | US | disclosed |
| US-20160372676-A1 | POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING DEVICE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-12-22 | — | — | US | disclosed |