⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8364339 | 0.67 | — | — | |
| Water SCHEMBL27335870 | 0.66 | — | — | |
| SCHEMBL9651194 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL941350 | 0.63 | — | — | |
| Water SCHEMBL27851057 | 0.63 | — | — | |
| Water SCHEMBL27336036 | 0.63 | SLC22A6 (0.30) | — | |
| SCHEMBL1660194 | 0.63 | — | — | |
| SCHEMBL21325959 | 0.63 | RECQL (0.52) | — | |
| SCHEMBL485846 | 0.63 | — | — | |
| SCHEMBL17617965 | 0.62 | — | — |
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-20230357533-A1 | METHOD FOR CHEMICAL UPCYCLING OF RESINS CONTAINING ESTER BONDS | ZHEJIANG UNIVERSITY (CN) | 2023-11-09 | — | — | US | disclosed |