⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23011661 | 0.77 | — | — | |
| SCHEMBL7058449 | 0.77 | — | — | |
| SCHEMBL3912185 | 0.77 | — | — | |
| SCHEMBL12762258 | 0.73 | — | — | |
| SCHEMBL12955411 | 0.72 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL11550857 | 0.71 | GRIN2D (0.48) | — | |
| SCHEMBL15629920 | 0.71 | — | — | |
| SCHEMBL20415512 | 0.71 | — | — | |
| SCHEMBL13905935 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL13560704 | 0.71 | MEN1 (0.47) | — |
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-2018097999-A1 | COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2018-05-31 | — | — | WO | disclosed |