⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7249640 | 0.81 | LMNA (0.35) | — | |
| SCHEMBL7254371 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL7248299 | 0.79 | TDP1 (0.31) | — | |
| SCHEMBL55490 | 0.77 | — | — | |
| SCHEMBL7247759 | 0.76 | EPHX2 (0.32) | — | |
| SCHEMBL5946043 | 0.76 | — | — | |
| SCHEMBL7248280 | 0.74 | — | — | |
| SCHEMBL15383219 | 0.73 | TDP1 (0.39) | — | |
| SCHEMBL25811 | 0.71 | — | — | |
| SCHEMBL5946129 | 0.71 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6602825-B1 | Cyclization of an isocyanate with a thiourea and carbonic acid | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-05 | — | — | US | disclosed |
| CN-1341105-A | 1-aryl-1,3,5-triazine-4-thione-2,6-diones, production thereof and use thereof as herbicides | BASF AG (DE) | 2002-03-20 | — | — | CN | disclosed |
| EP-1157012-A1 | 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000050409-A1 | 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-31 | — | — | WO | disclosed |