⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9776337 | 0.72 | PDE8B (0.32) | — | |
| SCHEMBL28359152 | 0.69 | — | — | |
| SCHEMBL6728306 | 0.68 | — | — | |
| SCHEMBL13486887 | 0.66 | — | — | |
| SCHEMBL13486886 | 0.66 | — | — | |
| SCHEMBL153432 | 0.66 | — | — | |
| SCHEMBL5617622 | 0.66 | PDE8B (0.32) | — | |
| SCHEMBL1961412 | 0.65 | — | — | |
| SCHEMBL6985391 | 0.65 | KMT2A (0.33) | — | |
| SCHEMBL10391665 | 0.65 | — | — |
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-3173418-B1 | ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME | IND TECH RES INST (TW) | 2018-05-09 | — | — | EP | disclosed |