⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1067736 | 0.84 | — | — | |
| SCHEMBL900766 | 0.81 | DRD1 (0.30) | — | |
| SCHEMBL900876 | 0.79 | KMT2A (0.34) | — | |
| SCHEMBL1066799 | 0.78 | PDE2A (0.33) | — | |
| SCHEMBL19611112 | 0.76 | — | — | |
| SCHEMBL1065162 | 0.76 | — | — | |
| SCHEMBL403016 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL1067896 | 0.74 | PDE4B (0.36) | — | |
| SCHEMBL1062938 | 0.74 | PDE4B (0.36) | — | |
| SCHEMBL534114 | 0.73 | KMT2A (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010149758-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-29 | — | — | WO | disclosed |
| CN-1939902-A | Mandelic acid derivatives and their use as throbin inhibitors | ASTRAZENECA AB (SE) | 2007-04-04 | — | — | CN | disclosed |
| CN-1939903-A | Mandelic acid derivatives and their use as throbin inhibitors | ASTRAZENECA AB (SE) | 2007-04-04 | — | — | CN | disclosed |
| CN-1291975-C | Novel mandelic acid derivatives and their use as thrombin inhibitors | ASTRAZENECA AB (SE) | 2006-12-27 | — | — | CN | disclosed |
| CN-1656066-A | combination drug | ASTRAZENECA AB (SE) | 2005-08-17 | — | — | CN | disclosed |
| CN-1487919-A | Novel mandelic acid derivatives and their use as thrombin inhibitors | — | 2004-04-07 | — | — | CN | disclosed |