⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2490555 | 0.77 | MAP3K9 (0.33) | — | |
| SCHEMBL29413672 | 0.77 | MAP3K9 (0.33) | — | |
| SCHEMBL30021882 | 0.71 | — | — | |
| SCHEMBL17273342 | 0.62 | — | — | |
| SCHEMBL31296681 | 0.62 | — | — | |
| SCHEMBL4852467 | 0.61 | — | — | |
| SCHEMBL1307789 | 0.58 | TNF (0.31) | — | |
| SCHEMBL16162853 | 0.54 | — | — | |
| SCHEMBL17456826 | 0.49 | TRPA1 (0.30) | — | |
| SCHEMBL4853869 | 0.48 | CDC25A (0.32) | — |
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-2022244864-A1 | MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD | 出光興産株式会社 | 2022-11-24 | — | — | WO | disclosed |