⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL248140 | 0.86 | DAO (0.37) | — | |
| SCHEMBL30525517 | 0.86 | DAO (0.37) | — | |
| SCHEMBL561514 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL29636288 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL17646787 | 0.73 | LPL (0.32) | — | |
| SCHEMBL29643889 | 0.72 | ENPP2 (0.48) | — | |
| SCHEMBL4942 | 0.72 | ENPP2 (0.48) | — | |
| SCHEMBL29838067 | 0.71 | MGLL (0.39) | — | |
| SCHEMBL3693742 | 0.71 | MGLL (0.39) | — | |
| Hydrochloric Acid SCHEMBL1870385 | 0.71 | ENPP2 (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-2012003283-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY | AMGEN INC. (US) | 2012-01-05 | — | — | WO | disclosed |