⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21732808 | 0.87 | CYP1A2 (0.31) | — | |
| SCHEMBL21732482 | 0.85 | MEN1 (0.32) | — | |
| SCHEMBL21732504 | 0.85 | — | — | |
| SCHEMBL22986981 | 0.84 | MAPT (0.38) | — | |
| SCHEMBL19298416 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL23033055 | 0.82 | PIM3 (0.37) | — | |
| SCHEMBL23033044 | 0.82 | PIM3 (0.37) | — | |
| SCHEMBL22987146 | 0.82 | MEN1 (0.35) | — | |
| SCHEMBL20619226 | 0.82 | LIMK1 (0.30) | — | |
| SCHEMBL25004588 | 0.82 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020036314-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME | 주식회사 엘지화학 | 2020-02-20 | — | — | WO | disclosed |