⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27606567 | 0.87 | PNMT (0.41) | — | |
| SCHEMBL27588475 | 0.86 | LOXL2 (0.41) | — | |
| SCHEMBL6203606 | 0.79 | — | — | |
| SCHEMBL5664420 | 0.79 | — | — | |
| SCHEMBL6207561 | 0.79 | — | — | |
| SCHEMBL27606344 | 0.78 | NOS3 (0.41) | — | |
| SCHEMBL27606311 | 0.77 | HRH3 (0.54) | — | |
| SCHEMBL28752787 | 0.77 | HTR2A (0.38) | — | |
| SCHEMBL27718091 | 0.76 | PNMT (0.37) | — | |
| SCHEMBL16684662 | 0.76 | CNR1 (0.39) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103130731-B | Method for preparing 4-amino-5-aryl-1,2,4-triazole-3-thioketone | UNIV SHAANXI SCIENCE & TECH | 2015-06-03 | — | — | CN | disclosed |
| CN-103130731-A | Method for preparing 4-amino-5-aryl-1,2,4-triazole-3-thioketone | UNIV SHAANXI SCIENCE & TECH | 2013-06-05 | — | — | CN | disclosed |
| CN-101668425-A | Tri-aryl/heteroaroaromatic cannabinoids and use thereof | UNIV TENNESSEE RES FOUNDATION | 2010-03-10 | — | — | CN | disclosed |
| CN-100506792-C | Substituted N-aryl heterocycles, method for the production thereof and their use as medicaments | AVENTIS PHARMA GMBH (DE) | 2009-07-01 | — | — | CN | disclosed |
| CN-1956971-A | Novel fused heterocycles and application thereof | ASTRAZENECA AB (SE) | 2007-05-02 | — | — | CN | disclosed |
| CN-1774418-A | Substituted N-arylheterocycles, method for production and use thereof as medicaments | AVENTIS PHARMA GMBH (DE) | 2006-05-17 | — | — | CN | disclosed |
| CN-1213040-C | Serine protease inhibitors | LILLY CO ELI (US) | 2005-08-03 | — | — | CN | disclosed |
| CN-1146561-C | Pyrimidine derivatives having antitumor activity | 盐野义制药株式会社 | 2004-04-21 | — | — | CN | disclosed |
| CN-1438999-A | Serine protease inhibitors | LILLY CO ELI (US) | 2003-08-27 | — | — | CN | disclosed |
| CN-1416429-A | Pyrimidine derivatives having antitumor activity | SHIONOGI & CO (JP) | 2003-05-07 | — | — | CN | disclosed |
| CN-1317003-A | Pyrimidine derivatives having antitumor activity | SHIONOGI & CO (JP) | 2001-10-10 | — | — | CN | disclosed |