⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6960110 | 0.74 | — | — | |
| SCHEMBL5223024 | 0.74 | — | — | |
| SCHEMBL6973100 | 0.71 | — | — | |
| SCHEMBL5847294 | 0.71 | — | — | |
| SCHEMBL11721726 | 0.70 | — | — | |
| SCHEMBL5953881 | 0.69 | DPP4 (0.47) | — | |
| SCHEMBL5953887 | 0.69 | DPP4 (0.47) | — | |
| Hydrochloric Acid SCHEMBL29180799 | 0.69 | — | — | |
| SCHEMBL27593814 | 0.67 | SPHK1 (0.37) | — | |
| SCHEMBL8677957 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120095386-A9 | COMPOSITION AND DEVICE STRUCTURE FOR IONTOPHORESIS | HISAMITSU PHARMACEUTICAL CO., INC. (JP) | 2012-04-19 | — | — | US | disclosed |
| US-8155738-B2 | Composition and device structure for iontophoresis | HISAMITSU PHARMACEUTICAL CO., INC. (JP) | 2012-04-10 | — | — | US | disclosed |
| US-20110021972-A1 | Composition and Device Structure For Iontophoresis | HISAMITSU PHARMACEUTICAL CO., INC. (JP) | 2011-01-27 | — | — | US | disclosed |
| US-20040071765-A1 | Composition and device structure for iontophoresis | HISAMITSU PHARMACEUTICAL CO., LTD. | 2004-04-15 | — | — | US | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-1080731-A2 | Composition and device structure for iontophoresis | HISAMITSU PHARMACEUTICAL CO. INC. (JP) | 2001-03-07 | — | — | EP | disclosed |