⚠ 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 | |
|---|---|---|---|---|
| Diphenylether SCHEMBL30263689 | 0.74 | LTA4H (0.92) | — | |
| Diphenylether SCHEMBL29208899 | 0.74 | LTA4H (0.92) | — | |
| SCHEMBL27879005 | 0.71 | — | — | |
| SCHEMBL8828064 | 0.71 | — | — | |
| SCHEMBL14905 | 0.69 | LTA4H (0.60) | — | |
| Diphenylether SCHEMBL12286 | 0.69 | LTA4H (1.00) | — | |
| Diphenylether SCHEMBL2461810 | 0.69 | LTA4H (1.00) | — | |
| Diphenylether SCHEMBL4950525 | 0.69 | LTA4H (1.00) | — | |
| Diphenylether SCHEMBL9061108 | 0.69 | LTA4H (1.00) | — | |
| SCHEMBL599721 | 0.69 | LTA4H (0.50) | — |
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-118271736-A | High-toughness halogen-free flame-retardant polyolefin cable material and preparation method thereof | 无锡杰科新材料有限公司 | 2024-07-02 | — | — | CN | disclosed |
| US-5916721-A | BINDER RESIN, AZOMETHINE DYE | KONICA CORPORATION (JP) | 1999-06-29 | — | — | US | disclosed |