⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5248006 | 0.85 | — | — | |
| SCHEMBL4951901 | 0.85 | — | — | |
| SCHEMBL51018 | 0.74 | — | — | |
| SCHEMBL2200931 | 0.74 | — | — | |
| SCHEMBL6446415 | 0.72 | POLB (0.43) | — | |
| SCHEMBL3484345 | 0.72 | — | — | |
| SCHEMBL8006097 | 0.71 | MEN1 (0.38) | — | |
| SCHEMBL593115 | 0.71 | MEN1 (0.38) | — | |
| SCHEMBL1247453 | 0.71 | MEN1 (0.38) | — | |
| SCHEMBL7696759 | 0.71 | MEN1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1379598-B1 | UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS | BASF AG (DE) | 2007-09-12 | — | — | EP | disclosed |
| 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 |