⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1548751 | 0.85 | — | — | |
| SCHEMBL1548753 | 0.85 | — | — | |
| SCHEMBL7781929 | 0.84 | CA12 (0.50) | — | |
| SCHEMBL8536047 | 0.84 | CA12 (0.50) | — | |
| SCHEMBL16512176 | 0.82 | DNM1 (0.33) | — | |
| SCHEMBL29142808 | 0.80 | SLC6A5 (0.39) | — | |
| SCHEMBL1485912 | 0.80 | — | — | |
| SCHEMBL16868404 | 0.80 | — | — | |
| SCHEMBL1485911 | 0.80 | — | — | |
| SCHEMBL9302179 | 0.79 | CA12 (0.47) | — |
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-3168847-B1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFICATION PRODUCT THEREOF | FUJIFILM CORP (JP) | 2018-05-16 | — | — | EP | disclosed |