⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6285153 | 0.86 | CYP2C19 (0.52) | — | |
| SCHEMBL6285355 | 0.86 | CYP2C19 (0.50) | — | |
| SCHEMBL6289668 | 0.84 | CYP2C19 (0.48) | — | |
| SCHEMBL30973705 | 0.84 | CA5A (0.41) | — | |
| SCHEMBL21290619 | 0.83 | PAOX (0.48) | — | |
| Diethylamine SCHEMBL18207981 | 0.83 | MCL1 (0.43) | — | |
| SCHEMBL9297284 | 0.81 | KDM4E (0.37) | — | |
| SCHEMBL175234 | 0.81 | TDP1 (0.46) | — | |
| SCHEMBL6285637 | 0.81 | CA2 (0.42) | — | |
| SCHEMBL6287178 | 0.79 | PAOX (0.45) | — |
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 |