⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17341185 | 1.00 | — | — | |
| SCHEMBL22788388 | 0.82 | — | — | |
| SCHEMBL4967440 | 0.82 | — | — | |
| SCHEMBL2202397 | 0.82 | — | — | |
| SCHEMBL530017 | 0.74 | — | — | |
| SCHEMBL8509138 | 0.74 | — | — | |
| SCHEMBL2941372 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28551853 | 0.72 | GABRR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2109937 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28551857 | 0.72 | GABRR1 (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-2922137-A1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR MANUFACTURING DYE-SENSITIZED SOLAR CELL | FUJIFILM Corporation (JP) | 2015-09-23 | — | — | EP | disclosed |