⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1267805 | 0.72 | — | — | |
| SCHEMBL1151644 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6564157 | 0.70 | — | — | |
| Iodide SCHEMBL4427932 | 0.70 | — | — | |
| SCHEMBL9636855 | 0.70 | — | — | |
| SCHEMBL13617914 | 0.70 | — | — | |
| SCHEMBL30782700 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL7679874 | 0.68 | — | — | |
| SCHEMBL19677342 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL14529839 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107206012-A | Methods of treating bladder cancer with ciclopirox, ciclopirox olamine or ciclopirox prodrugs | 堪萨斯大学 | 2017-09-26 | — | — | CN | disclosed |
| US-8968997-B2 | Benzoxazole-based fluorescent metal ion indicators | Life Technologies Corporation (US) | 2015-03-03 | — | — | US | disclosed |
| US-20140045171-A1 | BENZOXAZOLE-BASED FLUORESCENT METAL ION INDICATORS | Life Technologies Corporation (US) | 2014-02-13 | — | — | US | disclosed |
| EP-2379515-B1 | BENZOXAZOLE-BASED FLUORESCENT METAL ION INDICATORS | LIFE TECHNOLOGIES CORP (US) | 2014-02-12 | — | — | EP | disclosed |
| EP-2269993-B1 | 2-AMINOQUINAZOLINE DERIVATIVE | KYOWA HAKKO KIRIN CO LTD (JP) | 2013-02-27 | — | — | EP | disclosed |
| WO-2012004732-A1 | IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-01-12 | — | — | WO | disclosed |
| CN-1678597-A | Novel quaternary ammonium compounds | ASAHI KASEI PHARMA CORP (JP) | 2005-10-05 | — | — | CN | disclosed |