⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5187835 | 0.97 | ALDH1A1 (0.37) | — | |
| SCHEMBL16796442 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL10256317 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL5175331 | 0.78 | POLB (0.31) | — | |
| SCHEMBL5172778 | 0.75 | — | — | |
| SCHEMBL4595049 | 0.75 | TSHR (0.43) | — | |
| Water SCHEMBL27594765 | 0.71 | — | — | |
| SCHEMBL203211 | 0.71 | TSHR (0.44) | — | |
| Thiocyanic Acid SCHEMBL8027040 | 0.71 | ALDH1A1 (0.33) | — | |
| Thiocyanic Acid SCHEMBL8027044 | 0.71 | CA1 (0.40) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| WO-2010066721-A2 | TONICIZING COLORATION | HENKEL AG & CO. KGAA (DE) | 2010-06-17 | — | — | WO | disclosed |
| US-7312208-B2 | Quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2007-12-25 | — | — | US | disclosed |
| US-20070245498-A1 | Diethyl Methyl Ammonium Nitriles and Detergents and Cleaning Agents Containing Said Ammonium Nitriles | REINHARDT GERD | 2007-10-25 | — | — | US | disclosed |
| US-20070245498-A1 | Diethyl Methyl Ammonium Nitriles and Detergents and Cleaning Agents Containing Said Ammonium Nitriles | REINHARDT GERD | 2007-10-25 | — | — | 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-1784385-A1 | DIETHYL METHYL AMMONIUM NITRILES AND DETERGENTS AND CLEANING AGENTS CONTAINING SAID AMMONIUM NITRILES | Clariant Produkte (Deutschland) GmbH (DE) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006024434-A1 | DIETHYL METHYL AMMONIUM NITRILES AND DETERGENTS AND CLEANING AGENTS CONTAINING SAID AMMONIUM NITRILES | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2006-03-09 | — | — | WO | disclosed |