⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21393844 | 0.67 | — | — | |
| SCHEMBL8619911 | 0.64 | — | — | |
| SCHEMBL16838169 | 0.63 | — | — | |
| SCHEMBL22447148 | 0.61 | — | — | |
| SCHEMBL7196898 | 0.55 | — | — | |
| SCHEMBL13199169 | 0.53 | AR (0.38) | — | |
| SCHEMBL12154091 | 0.53 | CYP1A2 (0.33) | — | |
| SCHEMBL10001971 | 0.52 | AR (0.30) | — | |
| SCHEMBL17321834 | 0.52 | AR (0.30) | — | |
| SCHEMBL10993439 | 0.50 | — | — |
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-3168848-B1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFICATION PRODUCT THEREOF | FUJIFILM CORP (JP) | 2019-05-22 | — | — | EP | disclosed |