⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13696257 | 0.80 | MAPT (0.33) | — | |
| SCHEMBL29210917 | 0.79 | — | — | |
| SCHEMBL6911323 | 0.77 | DNM1 (0.37) | — | |
| SCHEMBL19788213 | 0.73 | — | — | |
| SCHEMBL6676488 | 0.72 | DNM1 (0.30) | — | |
| SCHEMBL20537330 | 0.72 | — | — | |
| SCHEMBL10336627 | 0.72 | CYP3A4 (0.36) | — | |
| SCHEMBL10335910 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL10335962 | 0.72 | TP53 (0.32) | — | |
| SCHEMBL10335960 | 0.72 | ALDH1A1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1170004-B1 | PREPARATIONS FOR PERCUTANEOUS ABSORPTION | HISAMITSU PHARMACEUTICAL CO (JP) | 2010-10-27 | — | — | EP | disclosed |
| US-7504114-B1 | Oxybutynin or fentanyl in a nonaqueous liquid having a solubility parameter of 7 to 13 (cal/cm3)1/2 and acetic acid or an acetate (sodium acetate); patches; excellent skin permeability | HISAMITSU PHARMACEUTICALS (JP) | 2009-03-17 | — | — | US | disclosed |
| EP-1170004-A1 | PREPARATIONS FOR PERCUTANEOUS ABSORPTION | HISAMITSU PHARMACEUTICAL CO., INC. (JP) | 2002-01-09 | — | — | EP | disclosed |