⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6130147 | 0.64 | EPHX1 (0.32) | — | |
| SCHEMBL21680056 | 0.60 | EPHX1 (0.40) | — | |
| SCHEMBL23409394 | 0.58 | — | — | |
| SCHEMBL25636320 | 0.58 | — | — | |
| SCHEMBL871803 | 0.57 | EPHX1 (0.31) | — | |
| SCHEMBL23533190 | 0.57 | — | — | |
| SCHEMBL13212027 | 0.56 | — | — | |
| SCHEMBL6839354 | 0.56 | EPHX1 (0.35) | — | |
| SCHEMBL28293206 | 0.56 | EPHX1 (0.35) | — | |
| SCHEMBL2688537 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |