⚠ 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL11628424 | 0.75 | — | — | |
| SCHEMBL15342 | 0.74 | — | — | |
| SCHEMBL27481422 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL6841949 | 0.73 | — | — | |
| SCHEMBL5312771 | 0.73 | — | — | |
| Methylene Chloride SCHEMBL27944946 | 0.70 | — | — | |
| Propane SCHEMBL4641051 | 0.70 | — | — | |
| SCHEMBL28071255 | 0.70 | — | — | |
| Methylene Chloride SCHEMBL7090995 | 0.68 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL9625167 | 0.68 | ALDH1A1 (0.57) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2103610-B1 | SALTS OF IMIDAZOL-5-CARBOXYLIC ACID DERIVATIVES, PREPARATION METHODS AND USE THEREOF | SHANGHAI ALLIST PHARMACEUTICAL INC (CN) | 2011-09-21 | — | — | EP | disclosed |
| US-7943648-B2 | Salts of imidazole-5-carboxylic acid derivatives, a method for preparing same and pharmaceutical compositions comprising same | SHANGHAI ALLIST PHARMACEUTICAL INC. (CN) | 2011-05-17 | — | — | US | disclosed |
| US-20090326024-A1 | SALTS OF IMIDAZOLE-5-CARBOXYLIC ACID DERIVATIVES, A METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD (CN) | 2009-12-31 | — | — | US | disclosed |
| EP-2103610-A1 | THE SALTS OF IMIDAZOL-5-CARBOXYLIC ACID DERIVATIVES, PREPARATION METHODS AND USE THERROF | SHANGHAI ALLIST PHARMACEUTICAL., INC. (CN) | 2009-09-23 | — | — | EP | disclosed |