⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23430360 | 0.71 | — | — | |
| SCHEMBL20203358 | 0.65 | — | — | |
| SCHEMBL21985212 | 0.62 | — | — | |
| SCHEMBL22779233 | 0.61 | PIM1 (0.30) | — | |
| SCHEMBL21985067 | 0.61 | — | — | |
| SCHEMBL24349934 | 0.61 | — | — | |
| SCHEMBL22059379 | 0.58 | — | — | |
| SCHEMBL23637798 | 0.57 | PIM1 (0.33) | — | |
| SCHEMBL19860071 | 0.55 | — | — | |
| SCHEMBL24202300 | 0.54 | THRB (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3094638-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2017-11-08 | — | — | EP | disclosed |