⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17486340 | 0.76 | ALOX5AP (0.33) | — | |
| SCHEMBL17486157 | 0.73 | PTGDR2 (0.33) | — | |
| SCHEMBL17486112 | 0.72 | ADORA2A (0.31) | — | |
| SCHEMBL17486307 | 0.72 | CNR2 (0.36) | — | |
| SCHEMBL17485992 | 0.71 | MEN1 (0.40) | — | |
| SCHEMBL17485981 | 0.67 | RARB (0.36) | — | |
| SCHEMBL19295158 | 0.66 | L3MBTL1 (0.40) | — | |
| SCHEMBL12073734 | 0.66 | ALDH1A1 (0.50) | — | |
| SCHEMBL6633851 | 0.66 | ALDH1A1 (0.55) | — | |
| SCHEMBL17486084 | 0.66 | HSD17B1 (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3174890-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-03-13 | — | — | EP | disclosed |
| US-9853228-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-12-26 | — | — | US | disclosed |
| US-9853228-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-12-26 | — | — | US | disclosed |
| US-20170250353-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2017-08-31 | — | — | US | disclosed |
| US-20170250353-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2017-08-31 | — | — | US | disclosed |
| WO-2016015815-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-02-04 | — | — | WO | disclosed |