⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL223936 | 0.77 | MAPK1 (0.33) | — | |
| SCHEMBL21351791 | 0.70 | — | — | |
| SCHEMBL19313735 | 0.70 | — | — | |
| SCHEMBL35662 | 0.68 | — | — | |
| SCHEMBL12449850 | 0.67 | — | — | |
| SCHEMBL7238646 | 0.66 | SMPD1 (0.45) | — | |
| SCHEMBL8624672 | 0.66 | SMPD1 (0.45) | — | |
| SCHEMBL7237838 | 0.66 | SMPD1 (0.45) | — | |
| SCHEMBL8628258 | 0.66 | SMPD1 (0.45) | — | |
| SCHEMBL24197053 | 0.66 | — | — |
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-1339770-B1 | ACTIVATORS FOR THE PRODUCTION OF POLYURETHANE FOAMED MATERIALS | BAYER MATERIALSCIENCE AG (DE) | 2010-01-20 | — | — | EP | disclosed |
| US-6759363-B2 | REDUCED VOLATILITY; MOLDINGS WITH LOW EMISSION; STORAGE STABILITY; AUTOMOTIVE | BAYER AKTIENGESELLSCHAFT (DE) | 2004-07-06 | — | — | US | disclosed |
| EP-1339770-A1 | ACTIVATORS FOR THE PRODUCTION OF POLYURETHANE FOAMED MATERIALS | Bayer Aktiengesellschaft (DE) | 2003-09-03 | — | — | EP | disclosed |
| US-20020123597-A1 | Activators for the production of polyurethane foams | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-05 | — | — | US | disclosed |
| WO-2002040568-A1 | ACTIVATORS FOR THE PRODUCTION OF POLYURETHANE FOAMED MATERIALS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-23 | — | — | WO | disclosed |