⚠ 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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL630012 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL6935317 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL4451570 | 0.82 | MGAM (0.32) | — | |
| SCHEMBL3961508 | 0.77 | CYP2D6 (0.31) | — | |
| SCHEMBL7794966 | 0.76 | GRIK1 (0.31) | — | |
| Acetaldehyde SCHEMBL27920280 | 0.75 | — | — | |
| Acetaldehyde SCHEMBL9420985 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL21633819 | 0.74 | — | — | |
| SCHEMBL4805599 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL5374593 | 0.71 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7612126-B2 | Low-VOC aqueous coating compositions with excellent freeze-thaw stability | BASF AKTIENGESELLSCHAFT (DE) | 2009-11-03 | — | — | US | disclosed |
| US-20070105982-A1 | Low-voc aqueous coating compositions with excellent freeze-thaw stability | BASF AKTIENGESELLSCHAFT (DE) | 2007-05-10 | — | — | US | disclosed |
| EP-1692237-A1 | LOW-VOC AQUEOUS COATING COMPOSITIONS WITH EXCELLENT FREEZE-THAW STABILITY | BASF AKTIENGESELLSCHAFT (DE) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005054384-A1 | LOW-VOC AQUEOUS COATING COMPOSITIONS WITH EXCELLENT FREEZE-THAW STABILITY | BASF AKTIENGESELLSCHAFT (DE) | 2005-06-16 | — | — | WO | disclosed |
| EP-1541648-A1 | Low-voc aqueous coating compositions with excellent freeze-thaw stability | BASF AKTIENGESELLSCHAFT (DE) | 2005-06-15 | — | — | EP | disclosed |