⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21719290 | 0.64 | — | — | |
| SCHEMBL21719606 | 0.64 | — | — | |
| SCHEMBL21719330 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL21719466 | 0.64 | — | — | |
| SCHEMBL20844015 | 0.62 | — | — | |
| SCHEMBL21719296 | 0.62 | ADORA3 (0.31) | — | |
| SCHEMBL17998022 | 0.60 | — | — | |
| SCHEMBL10212111 | 0.60 | — | — | |
| SCHEMBL20034064 | 0.57 | — | — | |
| SCHEMBL73292 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2537875-A1 | NOVEL POLYAZOMETHINE | Soken Chemical & Engineering Co., Ltd. (JP) | 2012-12-26 | — | — | EP | disclosed |