⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24533272 | 0.73 | HRH3 (0.38) | — | |
| SCHEMBL12460337 | 0.69 | — | — | |
| SCHEMBL18686855 | 0.69 | — | — | |
| SCHEMBL12842032 | 0.67 | — | — | |
| SCHEMBL4203063 | 0.67 | — | — | |
| SCHEMBL22811567 | 0.63 | — | — | |
| SCHEMBL31485771 | 0.62 | CYP1A2 (0.42) | — | |
| SCHEMBL13857204 | 0.62 | CYP1A2 (0.36) | — | |
| SCHEMBL203650 | 0.62 | SIGMAR1 (0.43) | — | |
| SCHEMBL25365 | 0.62 | — | — |
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-2020073011-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY | ANNAPURNA BIO, INC. (US) | 2020-04-09 | — | — | WO | disclosed |