⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6301522 | 0.93 | MEN1 (0.30) | — | |
| SCHEMBL6889106 | 0.85 | L3MBTL1 (0.33) | — | |
| SCHEMBL6301520 | 0.84 | L3MBTL1 (0.33) | — | |
| SCHEMBL3242102 | 0.84 | LMNA (0.31) | — | |
| SCHEMBL137086 | 0.84 | LMNA (0.31) | — | |
| SCHEMBL3242091 | 0.83 | LMNA (0.30) | — | |
| SCHEMBL857034 | 0.81 | PTPN1 (0.33) | — | |
| SCHEMBL3239950 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL2919493 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL3239936 | 0.80 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1428858-B1 | Hydrophilic marker dyes based on benzopyrylo-polymethines | DYOMICS GMBH (DE) | 2013-01-30 | — | — | EP | disclosed |