⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16507995 | 1.00 | — | — | |
| SCHEMBL14303810 | 0.73 | — | — | |
| SCHEMBL14095125 | 0.73 | — | — | |
| SCHEMBL18949435 | 0.71 | — | — | |
| SCHEMBL16693781 | 0.70 | — | — | |
| SCHEMBL8232011 | 0.70 | — | — | |
| SCHEMBL20310191 | 0.69 | — | — | |
| SCHEMBL17777424 | 0.66 | NISCH (0.34) | — | |
| SCHEMBL16471431 | 0.64 | — | — | |
| SCHEMBL17777770 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2933875-B1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL | FUJIFILM CORP (JP) | 2017-03-29 | — | — | EP | disclosed |
| WO-2017024315-A1 | HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS | NANT HOLDINGS IP, LLC (US) | 2017-02-09 | — | — | WO | disclosed |
| EP-2044056-B1 | PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS | NOVARTIS AG (CH) | 2012-08-22 | — | — | EP | disclosed |