⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1169064 | 0.77 | — | — | |
| SCHEMBL2210603 | 0.75 | — | — | |
| SCHEMBL8724862 | 0.75 | — | — | |
| Fluoride SCHEMBL19458344 | 0.73 | — | — | |
| Bromide SCHEMBL19458438 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL23478346 | 0.73 | — | — | |
| SCHEMBL1735378 | 0.73 | — | — | |
| Iodide SCHEMBL19458347 | 0.73 | — | — | |
| Water SCHEMBL19458398 | 0.73 | — | — | |
| SCHEMBL3082279 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0699190-B1 | PREPARATION OF 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE | BUCKMAN LABOR INC (US) | 1998-08-26 | — | — | EP | disclosed |
| US-5610311-A | CYCLIZATION | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0699190-A1 | PREPARATION OF 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1996-03-06 | — | — | EP | disclosed |
| WO-1994026724-A2 | PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1994-11-24 | — | — | WO | disclosed |
| EP-0318096-B1 | PROCESS FOR THE PREPARATION OF 3-MERCAPTO-5-AMINO-(1H)-1,2,4-TRIAZOLE | DowElanco (US) | 1993-07-28 | — | — | EP | disclosed |
| US-5068347-A | PROCESS FOR THE PREPARATION OF 3-MERCAPTO-5-AMINO-(1H)-1,2,4-TRIAZOLE | DOWELANCO (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0318096-A1 | Process for the preparation of 3-mercapto-5-amino-(1H)-1,2,4-triazole | DowElanco (US) | 1989-05-31 | — | — | EP | disclosed |