⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15427943 | 0.86 | CCR1 (0.35) | — | |
| SCHEMBL15427818 | 0.86 | KDM4E (0.32) | — | |
| SCHEMBL15427718 | 0.81 | — | — | |
| SCHEMBL15427721 | 0.80 | PDE2A (0.34) | — | |
| SCHEMBL15427941 | 0.76 | UQCRB (0.33) | — | |
| SCHEMBL15427715 | 0.76 | — | — | |
| SCHEMBL15428314 | 0.74 | — | — | |
| SCHEMBL15428249 | 0.71 | KDM4E (0.36) | — | |
| SCHEMBL19670904 | 0.71 | — | — | |
| SCHEMBL15428148 | 0.70 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9837622-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-12-05 | — | — | US | 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 |
| US-20150263297-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2015-09-17 | — | — | US | disclosed |
| WO-2014008982-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2014-01-16 | — | — | WO | disclosed |