⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38182 | 0.69 | — | — | |
| SCHEMBL516538 | 0.67 | MAPK1 (0.33) | — | |
| SCHEMBL2257571 | 0.65 | — | — | |
| SCHEMBL2495422 | 0.63 | — | — | |
| SCHEMBL533044 | 0.62 | — | — | |
| SCHEMBL9773492 | 0.61 | — | — | |
| SCHEMBL16968108 | 0.60 | CYP2C19 (0.41) | — | |
| SCHEMBL7348444 | 0.59 | — | — | |
| SCHEMBL672872 | 0.58 | CYP2C19 (0.39) | — | |
| SCHEMBL7936533 | 0.57 | — | — |
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-20060100462-A1 | Metallic hydrogenation catalysts, production and use thereof | BASF AKTIENGESELLSCHAFT (DE) | 2006-05-11 | — | — | US | disclosed |
| US-7026269-B2 | Metallic hydrogenation catalysts, production and use thereof | BASF AKTIENGESELLSCHAFT (DE) | 2006-04-11 | — | — | US | disclosed |
| US-20030144553-A1 | Metallic hydrogenation catalysts, production and use thereof | LEIBNIZ-INSTITUT FUR NEUE MATERIALIEN GGMBH (DE) | 2003-07-31 | — | — | US | disclosed |