⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6533489 | 0.75 | — | — | |
| SCHEMBL4714397 | 0.73 | — | — | |
| SCHEMBL9553868 | 0.71 | CYP3A4 (0.35) | — | |
| SCHEMBL4957978 | 0.69 | — | — | |
| SCHEMBL1079263 | 0.67 | OPRD1 (0.38) | — | |
| SCHEMBL2314084 | 0.65 | ADRA1A (0.34) | — | |
| SCHEMBL594955 | 0.65 | CYP3A4 (0.31) | — | |
| SCHEMBL7288982 | 0.64 | — | — | |
| SCHEMBL9061096 | 0.64 | — | — | |
| SCHEMBL1489209 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7084222-B2 | Ruthenium complexes, process for preparation thereof, and processes for producing open-ring polymer of cycloolefins and hydrogenation products thereof by using the complex as catalyst | ZEON CORPORATION (JP) | 2006-08-01 | — | — | US | disclosed |