⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18951895 | 0.78 | — | — | |
| SCHEMBL20319632 | 0.76 | — | — | |
| SCHEMBL16373326 | 0.76 | — | — | |
| SCHEMBL2233523 | 0.72 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL16510370 | 0.72 | — | — | |
| SCHEMBL2233528 | 0.72 | SMN1; SMN2 (0.32) | — | |
| Methacrylic Acid SCHEMBL27769955 | 0.70 | TDP1 (0.42) | — | |
| SCHEMBL14547212 | 0.70 | — | — | |
| SCHEMBL1479353 | 0.69 | — | — | |
| SCHEMBL25121440 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016164814-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS | ANACOR PHARMACEUTICALS, INC. (US) | 2016-10-13 | — | — | WO | disclosed |