⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21718193 | 0.82 | GPR3 (0.42) | — | |
| SCHEMBL24352664 | 0.80 | ALOX5 (0.30) | — | |
| SCHEMBL15137744 | 0.78 | ALOX5 (0.35) | — | |
| SCHEMBL25955635 | 0.77 | — | — | |
| SCHEMBL21453480 | 0.76 | GPR3 (0.36) | — | |
| SCHEMBL23109629 | 0.74 | GPR3 (0.32) | — | |
| SCHEMBL20020794 | 0.74 | KDM4E (0.40) | — | |
| SCHEMBL19978063 | 0.73 | GPR3 (0.40) | — | |
| SCHEMBL21574324 | 0.73 | TNKS (0.35) | — | |
| SCHEMBL21453644 | 0.72 | GPR3 (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 |
|---|---|---|---|---|---|---|---|
| WO-2021132667-A1 | ORGANIC ELECTROLUMINESCENCE ELEMENT, COMPOSITION, POWDER, ELECTRONIC EQUIPMENT, AND NOVEL COMPOUND | 出光興産株式会社 | 2021-07-01 | — | — | WO | disclosed |