⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16089769 | 0.91 | PRSS1 (0.31) | — | |
| SCHEMBL16092506 | 0.89 | PRSS1 (0.33) | — | |
| SCHEMBL16089767 | 0.84 | PRSS1 (0.31) | — | |
| SCHEMBL20865066 | 0.81 | SLC5A2 (0.31) | — | |
| SCHEMBL20865067 | 0.79 | GPR84 (0.30) | — | |
| SCHEMBL16092516 | 0.75 | GPBAR1 (0.40) | — | |
| SCHEMBL20865064 | 0.72 | — | — | |
| SCHEMBL20644678 | 0.71 | PRSS1 (0.35) | — | |
| SCHEMBL20644672 | 0.71 | ACHE (0.39) | — | |
| SCHEMBL20644684 | 0.70 | ENPP2 (0.42) | — |
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-20160145397-A1 | ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS | NASA | 2016-05-26 | — | — | US | disclosed |