⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9802011 | 0.80 | NPSR1 (0.30) | — | |
| SCHEMBL6429842 | 0.77 | NPC1 (0.41) | — | |
| SCHEMBL11710424 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL10848276 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL11836301 | 0.73 | — | — | |
| SCHEMBL11712034 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL11713729 | 0.71 | POLB (0.31) | — | |
| SCHEMBL11716648 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL9802500 | 0.61 | — | — | |
| SCHEMBL11722300 | 0.60 | POLB (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6852857-B2 | Method of preparing substituted 4-amino-3-alkylthio-1,2,4-triazine-5-ones | BAYER MATERIALSCIENCE LLC (US) | 2005-02-08 | — | — | US | claimed |
| US-20030216573-A1 | Method of preparing substituted 4-amino-3-alkylthio-1,2,4-triazine-5-ones | BAYER CORPORATION | 2003-11-20 | — | — | US | claimed |
| US-6852857-B2 | Method of preparing substituted 4-amino-3-alkylthio-1,2,4-triazine-5-ones | BAYER MATERIALSCIENCE LLC (US) | 2005-02-08 | — | — | US | disclosed |
| US-20030216573-A1 | Method of preparing substituted 4-amino-3-alkylthio-1,2,4-triazine-5-ones | BAYER CORPORATION | 2003-11-20 | — | — | US | disclosed |