⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25954545 | 0.84 | — | — | |
| SCHEMBL24279848 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL24971078 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL21433024 | 0.81 | ALOX5 (0.37) | — | |
| SCHEMBL21433018 | 0.81 | ALOX5 (0.37) | — | |
| SCHEMBL25649130 | 0.81 | — | — | |
| SCHEMBL23652322 | 0.81 | PRKDC (0.36) | — | |
| SCHEMBL21898478 | 0.81 | MAPT (0.36) | — | |
| SCHEMBL21667040 | 0.81 | MAPT (0.36) | — | |
| SCHEMBL21433015 | 0.80 | PIK3CB (0.35) | — |
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-2019190227-A1 | COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING SAME | 주식회사 엘지화학 | 2019-10-03 | — | — | WO | disclosed |