⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1622952 | 0.81 | — | — | |
| Potassium SCHEMBL30358588 | 0.79 | — | — | |
| SCHEMBL11816980 | 0.62 | GSK3A (0.41) | — | |
| SCHEMBL5530233 | 0.60 | — | — | |
| SCHEMBL4206897 | 0.58 | — | — | |
| SCHEMBL5894751 | 0.56 | — | — | |
| SCHEMBL10151545 | 0.55 | CA12 (0.34) | — | |
| SCHEMBL9862395 | 0.55 | — | — | |
| SCHEMBL8144096 | 0.55 | — | — | |
| SCHEMBL8762698 | 0.54 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0462696-B1 | Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines | ORTHO PHARMA CORP (US) | 1995-08-09 | — | — | EP | claimed |
| EP-0462696-A1 | Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines | ORTHO PHARMACEUTICAL CORPORATION (US) | 1991-12-27 | — | — | EP | claimed |
| US-10290900-B2 | Non-aqueous electrolytic solution and lithium ion secondary battery comprising same | NIPPON SHOKUBAI CO., LTD. (JP) | 2019-05-14 | — | — | US | disclosed |
| US-20170117582-A1 | NON-AQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM ION SECONDARY BATTERY COMPRISING SAME | NIPPON SHOKUBAI CO., LTD. (JP) | 2017-04-27 | — | — | US | disclosed |
| US-20170117582-A1 | NON-AQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM ION SECONDARY BATTERY COMPRISING SAME | NIPPON SHOKUBAI CO., LTD. (JP) | 2017-04-27 | — | — | US | disclosed |
| EP-0462696-B1 | Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines | ORTHO PHARMA CORP (US) | 1995-08-09 | — | — | EP | disclosed |
| EP-0462696-A1 | Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines | ORTHO PHARMACEUTICAL CORPORATION (US) | 1991-12-27 | — | — | EP | disclosed |
| US-5075440-A | Hypotensive, bronchodilator agents | ORTHO PHARMACEUTICAL CORPORATION (US) | 1991-12-24 | — | — | US | disclosed |