⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3867714 | 0.78 | — | — | |
| SCHEMBL4443020 | 0.78 | — | — | |
| SCHEMBL6851260 | 0.78 | — | — | |
| SCHEMBL2019183 | 0.77 | USP2 (0.37) | — | |
| SCHEMBL2019186 | 0.77 | USP2 (0.37) | — | |
| SCHEMBL14264910 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL10263349 | 0.77 | — | — | |
| SCHEMBL12895022 | 0.76 | CYP2D6 (0.52) | — | |
| Bromide SCHEMBL11516552 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL8354017 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101267803-B | Wrinkle-improving agent | SHISEIDO CO LTD | 2011-06-08 | — | — | CN | disclosed |
| CN-101267803-A | Wrinkle-improving agent | SHISEIDO CO LTD (JP) | 2008-09-17 | — | — | CN | disclosed |