⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14397846 | 1.00 | — | — | |
| SCHEMBL16899696 | 0.84 | — | — | |
| SCHEMBL9426958 | 0.72 | — | — | |
| SCHEMBL9187733 | 0.72 | — | — | |
| SCHEMBL11420015 | 0.70 | — | — | |
| SCHEMBL15840988 | 0.70 | — | — | |
| SCHEMBL9744606 | 0.70 | — | — | |
| SCHEMBL648788 | 0.70 | — | — | |
| SCHEMBL647432 | 0.70 | — | — | |
| SCHEMBL647433 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2872590-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2018-11-14 | — | — | EP | disclosed |
| US-9837622-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-12-05 | — | — | US | disclosed |
| US-20150263297-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2015-09-17 | — | — | US | disclosed |
| EP-2872590-A1 | METAL COMPLEXES | Merck Patent GmbH (DE) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014008982-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2014-01-16 | — | — | WO | disclosed |