⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14311179 | 0.80 | — | — | |
| SCHEMBL20860761 | 0.78 | — | — | |
| SCHEMBL21297365 | 0.78 | — | — | |
| SCHEMBL13572917 | 0.74 | — | — | |
| SCHEMBL18756018 | 0.73 | — | — | |
| SCHEMBL22417075 | 0.72 | CYP2C9 (0.31) | — | |
| SCHEMBL23236457 | 0.71 | — | — | |
| SCHEMBL23236518 | 0.71 | — | — | |
| SCHEMBL29106 | 0.71 | — | — | |
| SCHEMBL22084132 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200377537-A1 | ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2020-12-03 | — | — | US | disclosed |
| WO-2017113508-A1 | PYRAZOLE COMPOUND OR SALT THEREOF, AND PREPARATION METHOD, HERBICIDE COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2017-07-06 | — | — | WO | disclosed |
| 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 |
| EP-2903079-A1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, AND DYE SOLUTION MADE BY DISSOLVING METAL COMPLEX DYE | Fujifilm Corporation (JP) | 2015-08-05 | — | — | EP | disclosed |