⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23312622 | 0.81 | PLA2G2A (0.30) | — | |
| SCHEMBL21557538 | 0.80 | CDC14B (0.35) | — | |
| SCHEMBL23312893 | 0.79 | NOS2 (0.33) | — | |
| SCHEMBL19534228 | 0.79 | — | — | |
| SCHEMBL21557625 | 0.78 | P2RX7 (0.30) | — | |
| SCHEMBL23312729 | 0.78 | NOS2 (0.31) | — | |
| SCHEMBL24886870 | 0.78 | PLA2G2A (0.34) | — | |
| SCHEMBL22112483 | 0.78 | NOS2 (0.34) | — | |
| SCHEMBL24356554 | 0.78 | PLA2G2A (0.32) | — | |
| SCHEMBL22112486 | 0.77 | NOS2 (0.30) | — |
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-3567032-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT UTILIZING SAME | LG Chem, Ltd. (KR) | 2019-11-13 | — | — | EP | disclosed |