⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15046401 | 0.95 | NR1H2 (0.32) | — | |
| SCHEMBL15046392 | 0.90 | — | — | |
| SCHEMBL15046200 | 0.89 | — | — | |
| SCHEMBL15046402 | 0.87 | — | — | |
| SCHEMBL15046291 | 0.81 | — | — | |
| SCHEMBL15046326 | 0.81 | — | — | |
| SCHEMBL15046420 | 0.81 | NR1H2 (0.40) | — | |
| SCHEMBL15046312 | 0.80 | NR1H2 (0.36) | — | |
| SCHEMBL15046355 | 0.80 | NR1H2 (0.39) | — | |
| SCHEMBL15046207 | 0.79 | PGR (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-2013089460-A1 | NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME | 주식회사 두산 (KR) | 2013-06-20 | — | — | WO | disclosed |