⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5612575 | 0.85 | — | — | |
| SCHEMBL16475526 | 0.85 | MAPT (0.35) | — | |
| SCHEMBL5949188 | 0.82 | — | — | |
| SCHEMBL9068651 | 0.82 | HTR2A (0.32) | — | |
| SCHEMBL28113707 | 0.79 | LMNA (0.41) | — | |
| SCHEMBL7666579 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL10058200 | 0.76 | — | — | |
| SCHEMBL21078046 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL50253 | 0.75 | — | — | |
| SCHEMBL22160 | 0.75 | — | — |
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-109233525-A | A kind of mental package product inner coating and preparation method thereof | 四川高盛包装制品有限公司 | 2019-01-18 | — | — | CN | disclosed |