⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1496207 | 0.80 | — | — | |
| SCHEMBL31281368 | 0.77 | — | — | |
| SCHEMBL31281052 | 0.72 | — | — | |
| SCHEMBL13863838 | 0.71 | — | — | |
| SCHEMBL14685527 | 0.71 | — | — | |
| SCHEMBL2197497 | 0.70 | — | — | |
| SCHEMBL31281536 | 0.64 | — | — | |
| SCHEMBL12110398 | 0.63 | — | — | |
| SCHEMBL13863895 | 0.63 | — | — | |
| SCHEMBL11706224 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016029021-A1 | GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES | SAMUMED, LLC (US) | 2016-02-25 | — | — | WO | disclosed |