⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7412814 | 0.68 | — | — | |
| SCHEMBL1863689 | 0.68 | — | — | |
| SCHEMBL4754800 | 0.64 | — | — | |
| SCHEMBL30793731 | 0.54 | — | — | |
| SCHEMBL1387683 | 0.53 | — | — | |
| SCHEMBL7995522 | 0.51 | — | — | |
| SCHEMBL3078599 | 0.49 | — | — | |
| SCHEMBL234916 | 0.49 | — | — | |
| Pyridazine SCHEMBL449549 | 0.41 | — | — | |
| SCHEMBL2384 | 0.41 | — | — |
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-0718294-A1 | 2-Amino-1,3-thiazepines and their use as inhibitors of the nitrogene oxide synthase | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-06-26 | — | — | EP | claimed |
| US-20230218629-A1 | THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION | Ambetex Pty Ltd (AU) | 2023-07-13 | — | — | US | disclosed |
| EP-3720853-A1 | 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH | Bayer CropScience Aktiengesellschaft (DE) | 2020-10-14 | — | — | EP | disclosed |
| CN-111448194-A | 3-amino- [1,2, 4] -triazole derivatives and their use for controlling undesired vegetation | 拜耳作物科学股份公司 | 2020-07-24 | — | — | CN | disclosed |
| EP-2729464-B1 | CYCLOPROPYL-FUSED-1,3-THIAZEPINES AS BACE 1 AND/OR BACE 2 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2015-04-29 | — | — | EP | disclosed |
| US-8927535-B2 | Cyclopropyl-fused-1,3-thiazepines as BACE1 and/or BACE2 inhibitors | HOFFMAN-LA ROCHE INC. (US) | 2015-01-06 | — | — | US | disclosed |
| EP-2729464-A1 | CYCLOPROPYL-FUSED-1,3-THIAZEPINES AS BACE 1 AND/OR BACE 2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2014-05-14 | — | — | EP | disclosed |
| US-20130012494-A1 | CYCLOPROPYL-FUSED-1,3-THIAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-01-10 | — | — | US | disclosed |
| WO-2013004676-A1 | CYCLOPROPYL-FUSED-1,3-THIAZEPINES AS BACE 1 AND/OR BACE 2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-01-10 | — | — | WO | disclosed |
| EP-0718294-A1 | 2-Amino-1,3-thiazepines and their use as inhibitors of the nitrogene oxide synthase | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-06-26 | — | — | EP | disclosed |
| EP-0718294-A1 | 2-Amino-1,3-thiazepines and their use as inhibitors of the nitrogene oxide synthase | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-06-26 | — | — | EP | disclosed |
| EP-0718294-A1 | 2-Amino-1,3-thiazepines and their use as inhibitors of the nitrogene oxide synthase | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-06-26 | — | — | EP | disclosed |