⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20041210 | 0.70 | — | — | |
| SCHEMBL5077203 | 0.70 | — | — | |
| SCHEMBL1725771 | 0.65 | — | — | |
| SCHEMBL126880 | 0.65 | — | — | |
| SCHEMBL4366974 | 0.65 | — | — | |
| SCHEMBL2570805 | 0.60 | — | — | |
| SCHEMBL25173724 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL7515880 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL7515887 | 0.60 | — | — | |
| SCHEMBL23037778 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018065344-A1 | COLOUR-STABLE CURING COMPOSITIONS CONTAINING POLYISOCYANATES OF (CYCLO)ALIPHATIC DIISOCYANATES | BASF SE (DE) | 2018-04-12 | — | — | WO | disclosed |