⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7259774 | 0.68 | — | — | |
| Pyrazine SCHEMBL2492066 | 0.67 | ALDH1A1 (0.33) | — | |
| Ether SCHEMBL18173787 | 0.65 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL626639 | 0.65 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL11647687 | 0.65 | — | — | |
| Ether SCHEMBL10629462 | 0.65 | — | — | |
| Ether SCHEMBL355376 | 0.65 | — | — | |
| Ether SCHEMBL11648502 | 0.65 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL9809003 | 0.65 | — | — | |
| Ether SCHEMBL10501726 | 0.65 | ALDH1A1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105593714-A | Long optical film, circularly polarizing plate provided with long optical film, and organic electroluminescent display device | KONICA MINOLTA INC | 2016-05-18 | — | — | CN | disclosed |