⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14494063 | 0.99 | — | — | |
| SCHEMBL5312843 | 0.85 | — | — | |
| SCHEMBL5806106 | 0.81 | — | — | |
| SCHEMBL14494058 | 0.77 | — | — | |
| SCHEMBL5806869 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL14494065 | 0.75 | — | — | |
| SCHEMBL5807263 | 0.75 | HPGD (0.36) | — | |
| SCHEMBL5314434 | 0.74 | ASGR1 (0.31) | — | |
| SCHEMBL28811108 | 0.74 | EPHX1 (0.33) | — | |
| SCHEMBL9896958 | 0.72 | S1PR1 (0.33) | — |
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-2007066353-A2 | NOVEL POLYMERS OF 3,4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS | INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) | 2007-06-14 | — | — | WO | disclosed |
| WO-2006117800-A2 | NOVEL 3, 4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS | INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) | 2006-11-09 | — | — | WO | disclosed |