⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9304937 | 0.64 | — | — | |
| SCHEMBL15049687 | 0.64 | — | — | |
| SCHEMBL8725615 | 0.64 | — | — | |
| SCHEMBL1173204 | 0.57 | — | — | |
| SCHEMBL10592329 | 0.56 | — | — | |
| Acetonitrile SCHEMBL28161087 | 0.52 | MEN1 (0.43) | — | |
| Water SCHEMBL2019825 | 0.52 | — | — | |
| Water SCHEMBL2587821 | 0.52 | — | — | |
| Water SCHEMBL3597569 | 0.52 | — | — | |
| Water SCHEMBL8102706 | 0.52 | MEN1 (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5814580-A | FORMING A CHELATE DYE BY THE REACTION OF AN AZOMETHINE DYE WITH A METAL-ION CONTAINING COMPOUND; EXCELLENT LIGHT FASTNESS | KONICA CORPORATION (JP) | 1998-09-29 | — | — | US | disclosed |
| EP-0732220-A1 | Thermal transfer recording material | KONICA CORPORATION (JP) | 1996-09-18 | — | — | EP | disclosed |