⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48430 | 0.97 | — | — | |
| SCHEMBL29429230 | 0.97 | — | — | |
| SCHEMBL31058588 | 0.94 | — | — | |
| SCHEMBL27587201 | 0.94 | — | — | |
| Acetone SCHEMBL27924148 | 0.82 | MAPT (0.43) | — | |
| M-Xylene SCHEMBL28888664 | 0.78 | ACHE (0.52) | — | |
| SCHEMBL1157899 | 0.75 | — | — | |
| SCHEMBL945389 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL1968056 | 0.73 | — | — | |
| SCHEMBL1951804 | 0.73 | — | — |
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-103446725-B | Golf | 邓禄普体育用品株式会社 | 2016-08-10 | — | — | CN | disclosed |