⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22538356 | 0.91 | KDM4E (0.35) | — | |
| SCHEMBL24222421 | 0.86 | DHFR (0.31) | — | |
| SCHEMBL23640992 | 0.84 | RAB9A (0.38) | — | |
| SCHEMBL21546190 | 0.81 | KDM4E (0.39) | — | |
| SCHEMBL19074719 | 0.80 | RAB9A (0.38) | — | |
| SCHEMBL21362016 | 0.78 | — | — | |
| SCHEMBL23191026 | 0.76 | DHFR (0.31) | — | |
| SCHEMBL19074813 | 0.75 | IRAK4 (0.35) | — | |
| SCHEMBL25859243 | 0.75 | — | — | |
| SCHEMBL21845645 | 0.74 | MEN1 (0.37) | — |
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-3406597-B1 | CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO LTD (KR) | 2019-10-30 | — | — | EP | disclosed |