⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28820077 | 0.77 | — | — | |
| SCHEMBL28228578 | 0.57 | PKM (0.30) | — | |
| SCHEMBL13822798 | 0.56 | HTR2B (0.32) | — | |
| SCHEMBL19429716 | 0.55 | — | — | |
| SCHEMBL2339394 | 0.55 | — | — | |
| SCHEMBL28410508 | 0.53 | ALOX15 (0.34) | — | |
| SCHEMBL21616454 | 0.53 | — | — | |
| SCHEMBL21950889 | 0.50 | FFAR3 (0.31) | — | |
| SCHEMBL21950923 | 0.50 | FFAR3 (0.31) | — | |
| SCHEMBL21950888 | 0.50 | FFAR3 (0.31) | — |
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-104662018-A | Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof | ADVINUS THERAPEUTICS LTD | 2015-05-27 | — | — | CN | claimed |