⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17831015 | 0.88 | GRM5 (0.34) | — | |
| SCHEMBL16439037 | 0.79 | GRM5 (0.34) | — | |
| SCHEMBL19999697 | 0.76 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL17831013 | 0.76 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL18951400 | 0.75 | — | — | |
| SCHEMBL19527900 | 0.74 | — | — | |
| SCHEMBL16432205 | 0.73 | — | — | |
| SCHEMBL16439035 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL21074282 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL19999700 | 0.67 | ALDH1A1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10290817-B2 | Luminescent diaza-monoaza-and benzimidazole metal carbene complexes for use in electronic devices such as OLEDs | UDC IRELAND LIMITED (IE) | 2019-05-14 | — | — | US | disclosed |
| US-20160172606-A1 | LUMINESCENT DIAZA-MONOAZA-AND BENZIMIDAZOLE METAL CARBENE COMPLEXES FOR USE IN ELECTRONIC DEVICES SUCH AS OLEDS | BASF SE (DE) | 2016-06-16 | — | — | US | disclosed |