⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26148308 | 0.77 | — | — | |
| SCHEMBL325322 | 0.75 | — | — | |
| SCHEMBL9430433 | 0.74 | — | — | |
| Thiosemicarbazide SCHEMBL11685737 | 0.74 | — | — | |
| SCHEMBL10974723 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL176566 | 0.71 | — | — | |
| SCHEMBL20108318 | 0.70 | — | — | |
| SCHEMBL3602169 | 0.70 | TAS2R38 (0.44) | — | |
| Thiosemicarbazide SCHEMBL37070 | 0.69 | — | — | |
| SCHEMBL215025 | 0.69 | — | — |
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 |