⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL631065 | 0.76 | TRPA1 (0.35) | — | |
| SCHEMBL11666761 | 0.76 | TRPA1 (0.35) | — | |
| SCHEMBL173836 | 0.74 | — | — | |
| SCHEMBL9575892 | 0.74 | SLC6A2 (0.36) | — | |
| SCHEMBL5526590 | 0.73 | — | — | |
| SCHEMBL10714605 | 0.73 | TRPA1 (0.32) | — | |
| SCHEMBL8596276 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL12728385 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL10260123 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL1158206 | 0.70 | ALDH1A1 (0.46) | — |
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-20120065365-A1 | Stable Radiopharmaceutical Compositions and Methods for Their Preparation | BRACCO IMAGING S.P.A. (IT) | 2012-03-15 | — | — | US | disclosed |
| US-20110206606-A1 | STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION | BRACCO IMAGING S.P.A. (IT) | 2011-08-25 | — | — | US | disclosed |
| EP-0715624-B1 | PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMA CO LTD (JP) | 1998-04-08 | — | — | EP | disclosed |
| US-5728829-A | MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION | FERRING-RESEARCH LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |
| EP-0715624-A1 | PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-06-12 | — | — | EP | disclosed |
| WO-1995006040-A1 | BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-03-02 | — | — | WO | disclosed |