⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL166418 | 0.80 | — | — | |
| SCHEMBL3203792 | 0.80 | — | — | |
| SCHEMBL6284243 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL6284534 | 0.76 | KMT2A (0.44) | — | |
| SCHEMBL8531019 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL1077228 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL2037806 | 0.75 | — | — | |
| SCHEMBL4037683 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL13236669 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL7635234 | 0.74 | GPR4 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6916854-B2 | Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-12 | — | — | US | disclosed |
| US-20040097642-A1 | Unsaturated compounds containing carbamate terminal groups or urea terminal groups | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |