⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5634395 | 0.85 | NOS3 (0.31) | — | |
| SCHEMBL5633468 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL11137159 | 0.78 | TDP1 (0.50) | — | |
| SCHEMBL7961889 | 0.78 | — | — | |
| SCHEMBL7238825 | 0.76 | — | — | |
| SCHEMBL9519271 | 0.76 | — | — | |
| SCHEMBL31020021 | 0.74 | TDP1 (0.45) | — | |
| SCHEMBL9734895 | 0.74 | — | — | |
| SCHEMBL7964470 | 0.72 | TDP1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL9518176 | 0.72 | NOS3 (0.32) | — |
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-1511724-B1 | Process for the preparation of thioalkylamine derivatives | BAYER CROPSCIENCE AG (DE) | 2014-04-30 | — | — | EP | disclosed |
| EP-1511724-B1 | Process for the preparation of thioalkylamine derivatives | BAYER CROPSCIENCE AG (DE) | 2014-04-30 | — | — | EP | disclosed |
| US-7235668-B2 | Process for the preparation of thioalkylamine derivatives | BAYER CROPSCIENCE AG (DE) | 2007-06-26 | — | — | US | disclosed |
| US-7235668-B2 | Process for the preparation of thioalkylamine derivatives | BAYER CROPSCIENCE AG (DE) | 2007-06-26 | — | — | US | disclosed |
| US-7235668-B2 | Process for the preparation of thioalkylamine derivatives | BAYER CROPSCIENCE AG (DE) | 2007-06-26 | — | — | US | disclosed |
| US-20050182275-A1 | Process for the preparation of thioalkylamine derivatives | BAYER CORPSCIENCE AG (DE) | 2005-08-18 | — | — | US | disclosed |
| EP-1511724-A1 | PROCESS FOR THE PREPARATION OF THIOALKYLAMINE DERIVATIVES | Bayer CropScience AG (DE) | 2005-03-09 | — | — | EP | disclosed |
| WO-2003099777-A1 | PROCESS FOR THE PREPARATION OF THIOALKYLAMINE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2003-12-04 | — | — | WO | disclosed |
| EP-0429751-B1 | SUBSTITUTED 3-AMINO-SYDNONIMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE | CASSELLA Aktiengesellschaft (DE) | 1993-06-16 | — | — | EP | disclosed |
| US-5120732-A | Treating cardiovascular disorders | CASSELLA AKTIENGESELLSCHAFT (DE) | 1992-06-09 | — | — | US | disclosed |
| EP-0457199-A1 | Substituted 3-Aminosydnonimines, method for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1991-11-21 | — | — | EP | disclosed |
| EP-0429751-A2 | Substituted 3-amino-sydnonimines, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1991-06-05 | — | — | EP | disclosed |