⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27254302 | 0.89 | P2RX7 (0.32) | — | |
| SCHEMBL21160342 | 0.88 | NPC1 (0.38) | — | |
| SCHEMBL27345364 | 0.87 | P2RX7 (0.30) | — | |
| SCHEMBL22809240 | 0.85 | GPR84 (0.32) | — | |
| SCHEMBL27381205 | 0.85 | GPR84 (0.33) | — | |
| SCHEMBL21159672 | 0.84 | ADORA2A (0.35) | — | |
| SCHEMBL21159670 | 0.82 | NPC1 (0.40) | — | |
| SCHEMBL24356551 | 0.81 | — | — | |
| SCHEMBL27393028 | 0.81 | MEN1 (0.30) | — | |
| SCHEMBL21160263 | 0.81 | NPC1 (0.41) | — |
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-3372593-B1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-12-23 | — | — | EP | disclosed |