⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8186770 | 0.70 | PTGS2 (0.42) | — | |
| SCHEMBL8202870 | 0.67 | MEN1 (0.37) | — | |
| SCHEMBL13017825 | 0.67 | MEN1 (0.58) | — | |
| SCHEMBL8202862 | 0.67 | MEN1 (0.37) | — | |
| SCHEMBL21939907 | 0.65 | CYP2C19 (0.30) | — | |
| SCHEMBL21940415 | 0.65 | CYP2C19 (0.30) | — | |
| SCHEMBL8181167 | 0.65 | PTGER3 (0.39) | — | |
| SCHEMBL8180274 | 0.64 | SIRT2 (0.56) | — | |
| SCHEMBL3427479 | 0.64 | NAT1 (0.52) | — | |
| SCHEMBL13416592 | 0.60 | MEN1 (0.53) | — |
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-7615640-B2 | Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device | Mitsubishi PaperMillsLtd. (JP) | 2009-11-10 | — | — | US | disclosed |