⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15046427 | 0.82 | MEN1 (0.34) | — | |
| SCHEMBL15046418 | 0.81 | — | — | |
| SCHEMBL15046339 | 0.77 | ALDH1A3 (0.32) | — | |
| SCHEMBL15046227 | 0.74 | MEN1 (0.36) | — | |
| SCHEMBL15046422 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL15046233 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL15046293 | 0.72 | HSD17B3 (0.33) | — | |
| SCHEMBL15046443 | 0.71 | PGR (0.37) | — | |
| SCHEMBL15046405 | 0.70 | PDK2 (0.38) | — | |
| SCHEMBL13364426 | 0.68 | PDK2 (0.33) | — |
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-2013089460-A1 | NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME | 주식회사 두산 (KR) | 2013-06-20 | — | — | WO | disclosed |