⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1830788 | 0.72 | — | — | |
| SCHEMBL12517739 | 0.71 | — | — | |
| SCHEMBL7384240 | 0.67 | FFAR3 (0.31) | — | |
| SCHEMBL24471492 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL7546297 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL92839 | 0.63 | — | — | |
| SCHEMBL1231135 | 0.63 | — | — | |
| SCHEMBL25450523 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL8277207 | 0.60 | LMNA (0.33) | — | |
| SCHEMBL11353210 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106574020-B | Copolymer and formed body | 株式会社可乐丽 | 2019-03-19 | — | — | CN | disclosed |