⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL372852 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL28253074 | 0.65 | — | — | |
| SCHEMBL27977074 | 0.64 | — | — | |
| SCHEMBL349593 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL961677 | 0.61 | — | — | |
| Iodide SCHEMBL1894751 | 0.61 | — | — | |
| Bromide SCHEMBL1657078 | 0.61 | — | — | |
| SCHEMBL17261041 | 0.59 | — | — | |
| SCHEMBL22451030 | 0.58 | HRH3 (0.32) | — | |
| SCHEMBL372458 | 0.57 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10290819-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2019-05-14 | — | — | US | disclosed |
| US-20130284977-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2013-10-31 | — | — | US | disclosed |
| US-20130284977-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2013-10-31 | — | — | US | disclosed |
| WO-2012079741-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2012-06-21 | — | — | WO | disclosed |