⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2680122 | 0.91 | — | — | |
| SCHEMBL18023946 | 0.85 | — | — | |
| SCHEMBL18023976 | 0.85 | — | — | |
| SCHEMBL5019532 | 0.78 | LARS1 (0.73) | — | |
| Trifluoroacetic Acid SCHEMBL3447190 | 0.78 | — | — | |
| SCHEMBL453410 | 0.77 | LARS1 (0.73) | — | |
| SCHEMBL453354 | 0.77 | LARS1 (0.73) | — | |
| SCHEMBL469428 | 0.77 | LARS1 (0.73) | — | |
| SCHEMBL19017137 | 0.77 | — | — | |
| SCHEMBL18023948 | 0.77 | LARS1 (0.55) | — |
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-20170355719-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. | 2017-12-14 | — | — | US | disclosed |