⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28911518 | 0.96 | SIRT2 (0.30) | — | |
| SCHEMBL30240962 | 0.96 | SIRT2 (0.30) | — | |
| SCHEMBL13987032 | 0.95 | CRHR1 (0.32) | — | |
| SCHEMBL26575506 | 0.81 | — | — | |
| SCHEMBL27429932 | 0.78 | — | — | |
| SCHEMBL26136538 | 0.76 | — | — | |
| SCHEMBL26136536 | 0.76 | — | — | |
| SCHEMBL26111478 | 0.74 | — | — | |
| SCHEMBL26112192 | 0.71 | — | — | |
| SCHEMBL26112199 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7470750-B2 | Method for the degradation of nitrile rubber by metathesis in the presence of ruthenium- or osmium-based catalysts | LANXESS DEUTSCHLAND GMBH (DE) | 2008-12-30 | — | — | US | disclosed |
| EP-1760093-A2 | Use of catalysts for the metathesis degradation of nitrile rubber | Lanxess Deutschland GmbH (DE) | 2007-03-07 | — | — | EP | disclosed |
| US-20070049700-A1 | Method for the degradation of nitrile rubber by metathesis in the presence of ruthenium- or osmium-based catalysts | LANXESS DEUTSCHLAND GMBH (DE) | 2007-03-01 | — | — | US | disclosed |