⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21101741 | 0.70 | — | — | |
| SCHEMBL20994732 | 0.69 | — | — | |
| SCHEMBL4624553 | 0.69 | — | — | |
| SCHEMBL12632083 | 0.61 | — | — | |
| SCHEMBL14295010 | 0.61 | — | — | |
| SCHEMBL22454751 | 0.60 | — | — | |
| SCHEMBL5407771 | 0.59 | — | — | |
| SCHEMBL16418074 | 0.57 | — | — | |
| SCHEMBL14469409 | 0.57 | — | — | |
| SCHEMBL6520634 | 0.57 | — | — |
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-2991997-B1 | TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS | UDC IRELAND LTD (IE) | 2018-02-21 | — | — | EP | disclosed |