⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17483336 | 0.89 | ALDH1A1 (0.36) | — | |
| SCHEMBL17850990 | 0.81 | — | — | |
| SCHEMBL17949597 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL17883162 | 0.77 | CNR1 (0.36) | — | |
| SCHEMBL18231565 | 0.76 | KDM4E (0.36) | — | |
| SCHEMBL21922113 | 0.75 | ATR (0.37) | — | |
| SCHEMBL21927315 | 0.75 | KDM4E (0.34) | — | |
| SCHEMBL19344959 | 0.74 | KDM4E (0.35) | — | |
| SCHEMBL21927182 | 0.73 | ABL1 (0.37) | — | |
| SCHEMBL20383134 | 0.73 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3035401-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | Kyushu University, National University Corporation (JP) | 2016-06-22 | — | — | EP | disclosed |