⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1719662 | 0.83 | CYP2D6 (0.48) | — | |
| SCHEMBL2484739 | 0.83 | CYP2D6 (0.48) | — | |
| SCHEMBL1099634 | 0.83 | CYP2D6 (0.67) | — | |
| SCHEMBL21636791 | 0.81 | CYP2D6 (0.70) | — | |
| SCHEMBL3369535 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL17695275 | 0.81 | CYP2D6 (0.46) | — | |
| SCHEMBL1720324 | 0.81 | — | — | |
| SCHEMBL1131592 | 0.79 | — | — | |
| SCHEMBL14543848 | 0.79 | — | — | |
| SCHEMBL11669917 | 0.79 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2158242-B1 | WATER-STABLE CATALYSTS FOR POLYURETHANE MANUFACTURE | DORF KETAL CHEMICALS INDIA PRIVATE LTD (IN) | 2019-12-25 | — | — | EP | disclosed |
| EP-2158242-A1 | WATER-STABLE CATALYSTS FOR POLYURETHANE MANUFACTURE | Johnson Matthey PLC (GB) | 2010-03-03 | — | — | EP | disclosed |
| WO-2008155569-A1 | WATER-STABLE CATALYSTS FOR POLYURETHANE MANUFACTURE | JOHNSON MATTHEY PLC (GB) | 2008-12-24 | — | — | WO | disclosed |
| US-20070155636-A1 | Lubricating oil additive and lubricating oil composition containing the same | ADEKA CORPORATION (JP) | 2007-07-05 | — | — | US | disclosed |
| EP-1717298-A1 | LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION CONTAINING SAME | Adeka Corporation (JP) | 2006-11-02 | — | — | EP | disclosed |