⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8675626 | 0.80 | — | — | |
| SCHEMBL13576250 | 0.75 | — | — | |
| SCHEMBL19215554 | 0.73 | — | — | |
| SCHEMBL25919624 | 0.73 | CYP2C19 (0.48) | — | |
| SCHEMBL24289039 | 0.73 | CYP2C19 (0.52) | — | |
| SCHEMBL23976540 | 0.71 | CYP2C19 (0.50) | — | |
| SCHEMBL21370666 | 0.71 | CYP2C19 (0.50) | — | |
| SCHEMBL331175 | 0.71 | CYP2C19 (0.86) | — | |
| SCHEMBL330921 | 0.71 | — | — | |
| SCHEMBL10045083 | 0.70 | CYP2C19 (0.57) | — |
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-6693202-B1 | MULTIBINDING LIGANDS CONTAINING SUCH AS AMINE, AMIDE, ESTER, HYDROXYL, CARBAMATE, UREA AND/OR IMINO FUNCTIONALITY | THERAVANCE, INC. | 2004-02-17 | — | — | US | disclosed |