⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20805548 | 0.76 | SPHK2 (0.33) | — | |
| SCHEMBL18592285 | 0.73 | — | — | |
| SCHEMBL25608694 | 0.73 | — | — | |
| SCHEMBL21026323 | 0.72 | — | — | |
| SCHEMBL18501653 | 0.72 | HRH3 (0.34) | — | |
| SCHEMBL18270441 | 0.68 | — | — | |
| SCHEMBL16996950 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL20233673 | 0.68 | NPC1 (0.43) | — | |
| SCHEMBL21898973 | 0.68 | HRH3 (0.33) | — | |
| SCHEMBL23695964 | 0.68 | HRH3 (0.35) | — |
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-20200038513-A1 | MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE | YALE UNIVERSITY | 2020-02-06 | — | — | US | disclosed |