⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6563901 | 0.90 | ALDH1A1 (0.38) | — | |
| SCHEMBL2769350 | 0.86 | KDM4E (0.33) | — | |
| SCHEMBL28533741 | 0.85 | SLC6A4 (0.33) | — | |
| SCHEMBL2773423 | 0.82 | OPRM1 (0.30) | — | |
| SCHEMBL5918725 | 0.82 | — | — | |
| SCHEMBL23270916 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL2390259 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL18311446 | 0.78 | — | — | |
| SCHEMBL530432 | 0.78 | HDAC4 (0.31) | — | |
| SCHEMBL11364223 | 0.78 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023095844-A1 | ARYLAMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 保土谷化学工業株式会社 | 2023-06-01 | — | — | WO | disclosed |
| US-3957666-A | HYDRAULIC FLUIDS, HEAT TRANSFER FLUIDS | MONSANTO COMPANY (US) | 1976-05-18 | — | — | US | disclosed |