⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL646385 | 0.81 | — | — | |
| SCHEMBL17956855 | 0.79 | — | — | |
| SCHEMBL21410916 | 0.74 | NOS1 (0.34) | — | |
| SCHEMBL3396417 | 0.73 | — | — | |
| SCHEMBL175250 | 0.72 | — | — | |
| SCHEMBL263382 | 0.72 | — | — | |
| SCHEMBL2581093 | 0.71 | — | — | |
| SCHEMBL28189707 | 0.70 | — | — | |
| SCHEMBL6518345 | 0.69 | NOS1 (0.34) | — | |
| SCHEMBL6522230 | 0.69 | NOS1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2410971-B1 | RADIATION-CURING, HIGHLY FUNCTIONAL POLYURETHANE (METH)ACRYLATE | BASF SE (DE) | 2017-08-16 | — | — | EP | claimed |
| EP-1026185-B1 | Dendrimers and highly branched polyurethanes | BASF AG (DE) | 2005-02-16 | — | — | EP | claimed |