⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL349386 | 0.83 | — | — | |
| SCHEMBL3259499 | 0.70 | — | — | |
| SCHEMBL348629 | 0.65 | — | — | |
| Cyclopentanol SCHEMBL8945182 | 0.60 | — | — | |
| SCHEMBL347951 | 0.58 | — | — | |
| SCHEMBL6429664 | 0.58 | TSHR (1.00) | — | |
| Cyclopentanol SCHEMBL2433 | 0.58 | — | — | |
| SCHEMBL1821097 | 0.58 | TSHR (0.82) | — | |
| SCHEMBL9225512 | 0.58 | TSHR (0.82) | — | |
| SCHEMBL328907 | 0.58 | TSHR (0.82) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4672119-A | AFFECT NEUROMUSCULAR IMPULSE TRANSMISSION; TOXIC; CHEMICAL WARFARE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1987-06-09 | — | — | US | claimed |
| EP-1719768-B1 | NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS | ASAHI KASEI PHARMA CORP (JP) | 2012-04-25 | — | — | EP | disclosed |
| US-20120015925-A1 | NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS | ASAHI KASEI PHARMA CORPORATION (JP) | 2012-01-19 | — | — | US | disclosed |
| EP-1535913-B1 | NOVEL QUATERNARY AMMONIUM COMPOUNDS | ASAHI KASEI PHARMA CORP (JP) | 2011-11-02 | — | — | EP | disclosed |
| US-7973030-B2 | Benzothiazepine and benzothiepine compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2011-07-05 | — | — | US | disclosed |
| US-7803792-B2 | Quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2010-09-28 | — | — | US | disclosed |
| US-7312208-B2 | Quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2007-12-25 | — | — | US | disclosed |
| US-20070203115-A1 | Novel quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2007-08-30 | — | — | US | disclosed |
| US-20070190041-A1 | Novel benzothiazepine and bensothiepine compounds | ASHAI KASEI PHARAMA CORPORATION (JP) | 2007-08-16 | — | — | US | disclosed |
| EP-1719768-A1 | NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS | Asahi Kasei Pharma Corporation (JP) | 2006-11-08 | — | — | EP | disclosed |
| CN-1678597-A | Novel quaternary ammonium compounds | ASAHI KASEI PHARMA CORP (JP) | 2005-10-05 | — | — | CN | disclosed |
| EP-1535913-A1 | NOVEL QUATERNARY AMMONIUM COMPOUNDS | Asahi Kasei Pharma Corporation (JP) | 2005-06-01 | — | — | EP | disclosed |
| US-4672119-A | AFFECT NEUROMUSCULAR IMPULSE TRANSMISSION; TOXIC; CHEMICAL WARFARE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1987-06-09 | — | — | US | disclosed |
| US-4672119-A | AFFECT NEUROMUSCULAR IMPULSE TRANSMISSION; TOXIC; CHEMICAL WARFARE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1987-06-09 | — | — | US | disclosed |