⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7064079 | 0.73 | PKM (0.30) | — | |
| SCHEMBL3037999 | 0.71 | KDM4E (0.42) | — | |
| SCHEMBL13197289 | 0.70 | SLC6A2 (0.31) | — | |
| SCHEMBL17019780 | 0.67 | — | — | |
| SCHEMBL13370698 | 0.67 | — | — | |
| SCHEMBL454418 | 0.65 | NLRP3 (0.41) | — | |
| SCHEMBL7230011 | 0.65 | NLRP3 (0.41) | — | |
| SCHEMBL13346238 | 0.64 | — | — | |
| SCHEMBL3353058 | 0.64 | — | — | |
| SCHEMBL13197286 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612008-B2 | Metathesis catalysts | LANXESS DEUTSCHLAND GMBH (DE) | 2009-11-03 | — | — | US | disclosed |
| US-7592498-B2 | Metathesis catalysts | LANXESS DEUTSCHLAND GMBH (DE) | 2009-09-22 | — | — | US | disclosed |
| US-20080139861-A1 | Metathesis catalysts | ARLANXEO DEUTSCHLAND GMBH (DE) | 2008-06-12 | — | — | US | disclosed |