⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16602442 | 1.00 | — | — | |
| SCHEMBL13734525 | 0.70 | — | — | |
| SCHEMBL7621225 | 0.69 | — | — | |
| SCHEMBL2241619 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL14719645 | 0.65 | — | — | |
| SCHEMBL12591 | 0.63 | — | — | |
| SCHEMBL24425146 | 0.62 | — | — | |
| SCHEMBL24387259 | 0.62 | — | — | |
| SCHEMBL22672848 | 0.62 | — | — | |
| SCHEMBL23465956 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118900899-A | Compound, composition for forming anisotropic dye film, and optical element | 三菱化学株式会社 | 2024-11-05 | — | — | CN | disclosed |
| WO-2023181907-A1 | COMPOUND, COMPOSITION FOR FORMING ANISOTROPIC DYE FILM, ANISOTROPIC DYE FILM, AND OPTICAL ELEMENT | 三菱ケミカル株式会社 | 2023-09-28 | — | — | WO | disclosed |
| US-4677199-A | Reactive dyes containing substituted 4-fluoropyridaz-6-one radicals | BASF AKTIENGESELLSCHAFT (DE) | 1987-06-30 | — | — | US | disclosed |