⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16092506 | 0.77 | PRSS1 (0.33) | — | |
| SCHEMBL16089767 | 0.73 | PRSS1 (0.31) | — | |
| SCHEMBL16089769 | 0.73 | PRSS1 (0.31) | — | |
| SCHEMBL20865066 | 0.70 | SLC5A2 (0.31) | — | |
| SCHEMBL20865067 | 0.68 | GPR84 (0.30) | — | |
| SCHEMBL17775387 | 0.68 | — | — | |
| SCHEMBL19240782 | 0.67 | — | — | |
| SCHEMBL22733358 | 0.66 | — | — | |
| SCHEMBL16092516 | 0.65 | GPBAR1 (0.40) | — | |
| SCHEMBL24119836 | 0.64 | — | — |
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-20200040141-A1 | ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2020-02-06 | — | — | US | disclosed |