⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL771684 | 0.93 | ALDH1A1 (0.41) | — | |
| SCHEMBL9996765 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL154109 | 0.81 | — | — | |
| SCHEMBL1709355 | 0.81 | — | — | |
| SCHEMBL1709350 | 0.81 | — | — | |
| SCHEMBL28196279 | 0.81 | ALDH1A1 (0.49) | — | |
| SCHEMBL9996390 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL12064295 | 0.79 | ALDH1A1 (0.47) | — | |
| Bromide SCHEMBL28466662 | 0.79 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL28466963 | 0.79 | ALDH1A1 (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895565-B2 | Heterocyclic compound and use of the same | NISHIO TETSUYA (JP) | 2014-11-25 | — | — | US | disclosed |
| US-20110319618-A1 | HETEROCYCLIC COMPOUND AND USE OF THE SAME | NISHIO TETSUYA (JP) | 2011-12-29 | — | — | US | disclosed |
| US-20080064690-A1 | PYRAZOLE-AMIDES AND -SULFONAMIDES | ICAGEN, INC. (US) | 2008-03-13 | — | — | US | disclosed |
| US-7223782-B2 | Pyrazole-amides and -sulfonamides | ICAGEN, INC. (US) | 2007-05-29 | — | — | US | disclosed |
| US-20050049237-A1 | Pyrazole-amides and -sulfonamides | ICAGEN, INC. (US) | 2005-03-03 | — | — | US | disclosed |
| US-5378690-A | Treatment of angiotensin induced hypertension | SANKYO COMPANY, LIMITED (JP) | 1995-01-03 | — | — | US | disclosed |
| EP-0274259-A2 | New renin-inhibitory oligopeptides, their preparaton and their use | Sankyo Company Limited (JP) | 1988-07-13 | — | — | EP | disclosed |