⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7928131 | 0.68 | NOS1 (0.33) | — | |
| Water SCHEMBL17106639 | 0.66 | NOS1 (0.32) | — | |
| SCHEMBL13794959 | 0.64 | — | — | |
| SCHEMBL9400700 | 0.59 | — | — | |
| SCHEMBL1002769 | 0.54 | — | — | |
| SCHEMBL9464929 | 0.52 | NOS1 (0.38) | — | |
| SCHEMBL27692261 | 0.49 | — | — | |
| SCHEMBL731479 | 0.49 | — | — | |
| SCHEMBL19204928 | 0.49 | — | — | |
| SCHEMBL133181 | 0.48 | — | — |
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-11832508-B2 | Organic electroluminescence device | UDC IRELAND LIMITED (IE) | 2023-11-28 | — | — | US | disclosed |