⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20670066 | 0.93 | TNKS (0.32) | — | |
| SCHEMBL21474700 | 0.90 | TNKS (0.32) | — | |
| SCHEMBL18553527 | 0.86 | TUBB4A (0.30) | — | |
| SCHEMBL24849002 | 0.85 | — | — | |
| SCHEMBL23129440 | 0.85 | PRKDC (0.30) | — | |
| SCHEMBL21736200 | 0.84 | ALOX5 (0.33) | — | |
| SCHEMBL21735908 | 0.83 | LIMK1 (0.37) | — | |
| SCHEMBL21736479 | 0.83 | — | — | |
| SCHEMBL24341657 | 0.82 | PTGER1 (0.30) | — | |
| SCHEMBL23129434 | 0.82 | — | — |
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-2023277446-A1 | HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER | 엘티소재주식회사 | 2023-01-05 | — | — | WO | disclosed |