⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21125337 | 0.99 | — | — | |
| SCHEMBL21264606 | 0.95 | KDM4E (0.31) | — | |
| SCHEMBL22198397 | 0.86 | KMT2A (0.37) | — | |
| SCHEMBL21397849 | 0.83 | KDM4E (0.33) | — | |
| SCHEMBL24914627 | 0.83 | KDM4E (0.37) | — | |
| SCHEMBL22050473 | 0.83 | KDM4E (0.37) | — | |
| SCHEMBL24914498 | 0.82 | KDM4E (0.38) | — | |
| SCHEMBL17246726 | 0.82 | KDM4E (0.38) | — | |
| SCHEMBL17246701 | 0.81 | KDM4E (0.37) | — | |
| SCHEMBL17246719 | 0.81 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11917903-B2 | Metal complexes | UDC IRELAND LIMITED (IE) | 2024-02-27 | — | — | US | disclosed |
| US-20210111345-A1 | METAL COMPLEXES | UDC IRELAND LIMITED (IE) | 2021-04-15 | — | — | US | disclosed |