⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13683546 | 0.78 | — | — | |
| SCHEMBL13683548 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL24929628 | 0.73 | XDH (0.35) | — | |
| SCHEMBL17897728 | 0.73 | XDH (0.35) | — | |
| SCHEMBL17897724 | 0.71 | MEN1 (0.32) | — | |
| SCHEMBL17897730 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL19051046 | 0.70 | MAPT (0.39) | — | |
| SCHEMBL19929785 | 0.68 | XDH (0.31) | — | |
| SCHEMBL18386222 | 0.61 | MEN1 (0.30) | — | |
| SCHEMBL13805792 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7595139-B2 | Metal complex dye, color toner and color filter | KONICA MINOLTA HOLDINGS, INC. (JP) | 2009-09-29 | — | — | US | disclosed |