⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13882147 | 0.94 | FBP1 (0.30) | — | |
| SCHEMBL13882144 | 0.93 | FBP1 (0.31) | — | |
| SCHEMBL25553232 | 0.89 | FBP1 (0.30) | — | |
| SCHEMBL25572011 | 0.89 | — | — | |
| SCHEMBL25572013 | 0.88 | — | — | |
| SCHEMBL20465720 | 0.88 | — | — | |
| SCHEMBL12128761 | 0.86 | FBP1 (0.33) | — | |
| SCHEMBL13882141 | 0.82 | FBP1 (0.33) | — | |
| SCHEMBL26040764 | 0.82 | FBP1 (0.42) | — | |
| SCHEMBL24211073 | 0.81 | — | — |
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-20230158059-A1 | PREKALLIKREIN-MODULATING COMPOSITIONS AND METHODS OF USE THEREOF | ADARX PHARMACEUTICALS, INC. (US) | 2023-05-25 | — | — | US | disclosed |