⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5823560 | 0.76 | — | — | |
| SCHEMBL5818519 | 0.73 | — | — | |
| SCHEMBL3054764 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL5823484 | 0.66 | PDE9A (0.31) | — | |
| SCHEMBL2355725 | 0.62 | — | — | |
| SCHEMBL2754120 | 0.62 | — | — | |
| SCHEMBL18533293 | 0.61 | AHR (0.32) | — | |
| SCHEMBL732557 | 0.59 | NR1I2 (0.31) | — | |
| SCHEMBL11938182 | 0.59 | — | — | |
| SCHEMBL23059822 | 0.59 | — | — |
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-2007066353-A2 | NOVEL POLYMERS OF 3,4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS | INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) | 2007-06-14 | — | — | WO | disclosed |