⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9835291 | 0.81 | — | — | |
| SCHEMBL55485 | 0.78 | — | — | |
| SCHEMBL11676643 | 0.78 | — | — | |
| SCHEMBL10598543 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL26632587 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL6274695 | 0.76 | — | — | |
| SCHEMBL1975737 | 0.73 | — | — | |
| SCHEMBL6257463 | 0.73 | FFAR1 (0.42) | — | |
| SCHEMBL56625 | 0.72 | — | — | |
| SCHEMBL507407 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102293773-A | Drug with benzothiazepine and benzothiepine compounds | ASAHI KASEI PHARMA CORP | 2011-12-28 | — | — | CN | disclosed |
| CN-1930137-B | Benzothiazepine and benzoazepine compounds | ASAHI KASEI PHARMA CORP | 2011-07-20 | — | — | CN | disclosed |
| CN-100494185-C | Novel quaternary ammonium compounds | ASAHI KASEI PHARMA CORP (JP) | 2009-06-03 | — | — | CN | disclosed |
| EP-0848713-A1 | PYRIDINIMINYL-1,2-BENZISOXAZOLES AND- BENZISOTHIAZOLES AS ANTIPSYCHOTIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-06-24 | — | — | EP | disclosed |
| WO-1996039405-A1 | PYRIDINIMINYL-1,2-BENZISOXAZOLES AND- BENZISOTHIAZOLES AS ANTIPSYCHOTIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-12-12 | — | — | WO | disclosed |