⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20976350 | 0.85 | — | — | |
| SCHEMBL24016426 | 0.82 | — | — | |
| SCHEMBL20099213 | 0.77 | — | — | |
| SCHEMBL21152305 | 0.76 | — | — | |
| SCHEMBL21117927 | 0.75 | — | — | |
| SCHEMBL21666884 | 0.74 | GAA (0.31) | — | |
| SCHEMBL19325218 | 0.74 | — | — | |
| SCHEMBL26383148 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL23386442 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL21318271 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200064357-A1 | METHODS FOR DETERMINING AND MONITORING GASTROINTESTINAL INFLAMMATION | PROTAGONIST THERAPEUTICS, INC. | 2020-02-27 | — | — | US | disclosed |