⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11696766 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL1641599 | 0.62 | — | — | |
| SCHEMBL4893829 | 0.61 | CYP1A2 (0.35) | — | |
| SCHEMBL4903817 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL15282149 | 0.61 | CYP1A2 (0.35) | — | |
| SCHEMBL14992324 | 0.58 | CYP1A2 (0.38) | — | |
| SCHEMBL11598683 | 0.57 | TSHR (0.39) | — | |
| SCHEMBL6142231 | 0.57 | ALDH1A1 (0.35) | — | |
| SCHEMBL4252665 | 0.57 | ALDH1A1 (0.35) | — | |
| SCHEMBL1616696 | 0.56 | PABPC1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11692131-B2 | Heteroleptic transition metal-carbene complexes and their use in organic light-emitting diodes | UDC IRELAND LIMITED (IE) | 2023-07-04 | — | — | US | disclosed |