⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10539011 | 0.77 | — | — | |
| SCHEMBL9726278 | 0.70 | — | — | |
| SCHEMBL9325088 | 0.68 | CYP1A2 (0.32) | — | |
| SCHEMBL12513370 | 0.67 | — | — | |
| SCHEMBL11497934 | 0.67 | — | — | |
| SCHEMBL9726371 | 0.67 | CYP3A4 (0.30) | — | |
| SCHEMBL2337413 | 0.65 | ACHE (0.32) | — | |
| SCHEMBL19897498 | 0.64 | — | — | |
| SCHEMBL5591412 | 0.64 | — | — | |
| SCHEMBL13040444 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11393988-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2022-07-19 | — | — | US | disclosed |
| EP-3102650-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2018-08-29 | — | — | EP | disclosed |
| US-20170170413-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2017-06-15 | — | — | US | disclosed |