⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4603578 | 0.78 | — | — | |
| SCHEMBL18073442 | 0.78 | MAPT (0.42) | — | |
| SCHEMBL5998241 | 0.72 | POLB (0.32) | — | |
| SCHEMBL14882869 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL19746167 | 0.67 | — | — | |
| SCHEMBL11794504 | 0.67 | MEN1 (0.39) | — | |
| SCHEMBL21875991 | 0.67 | MAPK1 (0.47) | — | |
| SCHEMBL15611687 | 0.62 | MAPK1 (0.33) | — | |
| SCHEMBL15610961 | 0.61 | POLB (0.32) | — | |
| SCHEMBL14883106 | 0.60 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2768611-B1 | PROCESS FOR HYDROGENATION OF NITRILE RUBBER USING CATALYST COMPOSITIONS COMPRISING A GRUBBS-HOVEYDA TYPE COMPLEX AND A TERMINAL OLEFIN | ARLANXEO DEUTSCHLAND GMBH (DE) | 2018-08-01 | — | — | EP | disclosed |