⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181788 | 0.84 | EPHX1 (0.30) | — | |
| SCHEMBL5818519 | 0.80 | — | — | |
| SCHEMBL8776615 | 0.79 | PRKCA (0.33) | — | |
| SCHEMBL14494121 | 0.76 | — | — | |
| SCHEMBL2019930 | 0.73 | — | — | |
| SCHEMBL5804097 | 0.73 | EPHX1 (0.46) | — | |
| SCHEMBL5823484 | 0.72 | PDE9A (0.31) | — | |
| SCHEMBL1533016 | 0.72 | — | — | |
| SCHEMBL23662073 | 0.70 | — | — | |
| SCHEMBL8943350 | 0.69 | EPHX1 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006117800-A2 | NOVEL 3, 4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS | INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) | 2006-11-09 | — | — | WO | claimed |
| WO-2006117800-A2 | NOVEL 3, 4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS | INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) | 2006-11-09 | — | — | WO | disclosed |