⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12463779 | 0.63 | — | — | |
| SCHEMBL13849029 | 0.63 | — | — | |
| SCHEMBL22479912 | 0.60 | — | — | |
| SCHEMBL20389326 | 0.57 | — | — | |
| SCHEMBL596396 | 0.56 | — | — | |
| SCHEMBL24245376 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL4395592 | 0.54 | — | — | |
| SCHEMBL21118211 | 0.53 | — | — | |
| SCHEMBL23640680 | 0.53 | — | — | |
| SCHEMBL12656389 | 0.52 | — | — |
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-2018048930-A1 | LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF | PHARMAKEA, INC. (US) | 2018-03-15 | — | — | WO | disclosed |