⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3259513 | 0.68 | CA1 (0.31) | — | |
| SCHEMBL10722626 | 0.64 | — | — | |
| SCHEMBL6918650 | 0.64 | — | — | |
| SCHEMBL14130970 | 0.61 | — | — | |
| SCHEMBL6874301 | 0.61 | — | — | |
| SCHEMBL7986956 | 0.58 | — | — | |
| SCHEMBL4019676 | 0.55 | — | — | |
| SCHEMBL10472958 | 0.55 | — | — | |
| SCHEMBL11182940 | 0.52 | — | — | |
| SCHEMBL2760184 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5019628-A | Silicone containing acrylic star polymers | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-05-28 | — | — | US | disclosed |