⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11939572 | 1.00 | — | — | |
| SCHEMBL6560921 | 1.00 | — | — | |
| SCHEMBL27417117 | 0.76 | — | — | |
| SCHEMBL27343623 | 0.75 | TRPA1 (0.38) | — | |
| SCHEMBL20457692 | 0.75 | TRPA1 (0.38) | — | |
| SCHEMBL12812221 | 0.74 | TRPA1 (0.33) | — | |
| SCHEMBL23252510 | 0.74 | TRPA1 (0.33) | — | |
| SCHEMBL9766241 | 0.74 | — | — | |
| SCHEMBL9766238 | 0.74 | — | — | |
| SCHEMBL23673853 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110003271-B | Process for producing aromatic compound | 住友化学株式会社 | 2022-05-03 | — | — | CN | disclosed |
| WO-2021070878-A1 | ORGANIC ELECTROLUMINESCENCE ELEMENT HAVING ORGANIC LAYER COMPRISING HIGH MOLECULAR WEIGHT COMPOUND | 保土谷化学工業株式会社 | 2021-04-15 | — | — | WO | disclosed |