⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24283159 | 0.83 | — | — | |
| SCHEMBL21250723 | 0.78 | — | — | |
| SCHEMBL3691020 | 0.73 | OPRM1 (0.44) | — | |
| SCHEMBL9676602 | 0.73 | GSR (0.39) | — | |
| SCHEMBL22563598 | 0.72 | — | — | |
| SCHEMBL26324169 | 0.72 | — | — | |
| SCHEMBL18934339 | 0.71 | S1PR2 (0.47) | — | |
| SCHEMBL18699305 | 0.71 | S1PR2 (0.47) | — | |
| SCHEMBL24799699 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL10924911 | 0.70 | — | — |
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-11072616-B2 | Cyclic peptides targeting alpha-4-beta-7 integrin | UNIVERSITE DE MONTREAL (CA) | 2021-07-27 | — | — | US | disclosed |