⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28308340 | 0.92 | LMNA (0.33) | — | |
| SCHEMBL10892753 | 0.88 | — | — | |
| SCHEMBL3631277 | 0.80 | CYP2C19 (0.34) | — | |
| SCHEMBL28150929 | 0.80 | — | — | |
| SCHEMBL5049085 | 0.80 | OPRM1 (0.37) | — | |
| SCHEMBL28083378 | 0.80 | — | — | |
| SCHEMBL4436988 | 0.80 | — | — | |
| SCHEMBL31392894 | 0.79 | — | — | |
| SCHEMBL28742691 | 0.78 | OPRM1 (0.31) | — | |
| SCHEMBL28646724 | 0.78 | OPRM1 (0.31) | — |
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-109929113-A | A kind of electrode of lithium cell bonding siloxane oligomer and preparation method thereof | 湖北大学 | 2019-06-25 | — | — | CN | disclosed |