⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19185762 | 0.68 | — | — | |
| SCHEMBL14325522 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL16995090 | 0.61 | KDM4E (0.34) | — | |
| SCHEMBL16995085 | 0.61 | ALDH1A1 (0.37) | — | |
| SCHEMBL16081559 | 0.61 | NPC1 (0.30) | — | |
| SCHEMBL5379227 | 0.61 | — | — | |
| SCHEMBL3267985 | 0.60 | NPC1 (0.33) | — | |
| SCHEMBL12919420 | 0.59 | NPC1 (0.32) | — | |
| SCHEMBL6858556 | 0.59 | — | — | |
| SCHEMBL971483 | 0.58 | KDM4E (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012172107-A1 | DYES, METHOD OF MAKING THEM, AND THEIR USE IN DYE SENSITIZED SOLAR CELLS | SOLVAY SA (BE) | 2012-12-20 | — | — | WO | disclosed |