⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7547612 | 1.00 | — | — | |
| SCHEMBL7547614 | 1.00 | — | — | |
| SCHEMBL11580746 | 0.81 | PSMB5 (0.34) | — | |
| SCHEMBL11580750 | 0.81 | PSMB5 (0.34) | — | |
| SCHEMBL11580747 | 0.81 | PSMB5 (0.34) | — | |
| SCHEMBL3587847 | 0.76 | — | — | |
| SCHEMBL11578847 | 0.75 | PSMB5 (0.30) | — | |
| SCHEMBL11578843 | 0.75 | PSMB5 (0.30) | — | |
| SCHEMBL11578839 | 0.75 | PSMB5 (0.30) | — | |
| SCHEMBL25920148 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5210349-A | Catalytic hydrogenation using ruthenium catalyst | PHILLIPS PETROLEUM COMPANY (US) | 1993-05-11 | — | — | US | claimed |
| US-5171907-A | Preparation of hydrogenation catalyst and hydrogenation process therewith | PHILLIPS PETROLEUM COMPANY (US) | 1992-12-15 | — | — | US | claimed |
| US-5128296-A | Using activated ruthenium catalyst complexes | PHILLIPS PETROLEUM COMPANY (US) | 1992-07-07 | — | — | US | claimed |
| EP-1008573-B1 | Process for the hydrogenation of polyenes to monoenes | BASF AG (DE) | 2002-06-12 | — | — | EP | disclosed |
| US-6194624-B1 | HYDROGENATING POLYENES TO CORRESPONDING MONOENES USING HOMOGENEOUS RUTHENIUM CATALYSTS IN PRESENCE OF CARBOXYLIC ACID | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-27 | — | — | US | disclosed |
| EP-1008573-A1 | Process for the hydrogenation of polyenes to monoenes | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-14 | — | — | EP | disclosed |
| US-5171907-A | Preparation of hydrogenation catalyst and hydrogenation process therewith | PHILLIPS PETROLEUM COMPANY (US) | 1992-12-15 | — | — | US | disclosed |
| US-5128296-A | Using activated ruthenium catalyst complexes | PHILLIPS PETROLEUM COMPANY (US) | 1992-07-07 | — | — | US | disclosed |