⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29247722 | 0.76 | — | — | |
| SCHEMBL28897992 | 0.68 | — | — | |
| SCHEMBL8973287 | 0.63 | — | — | |
| SCHEMBL13461879 | 0.60 | — | — | |
| SCHEMBL10177686 | 0.60 | — | — | |
| SCHEMBL26292 | 0.60 | — | — | |
| SCHEMBL12847209 | 0.60 | — | — | |
| SCHEMBL28852321 | 0.60 | — | — | |
| SCHEMBL8467152 | 0.57 | — | — | |
| SCHEMBL8466052 | 0.57 | — | — |
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-2024151706-A1 | FUNCTIONALIZATION OF SOLUBLE POLYDIENES AND POLYISOPRENES USING DITHIOPHOSPHORIC ACIDS | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2024-07-18 | — | — | WO | disclosed |