⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3703704 | 0.85 | HSP90AA1 (0.43) | — | |
| SCHEMBL2263140 | 0.77 | HSP90AA1 (0.52) | — | |
| SCHEMBL3698201 | 0.75 | HSP90AA1 (0.44) | — | |
| SCHEMBL4566898 | 0.70 | HSP90AB1 (0.57) | — | |
| SCHEMBL4566881 | 0.70 | HSP90AB1 (0.55) | — | |
| SCHEMBL929652 | 0.66 | HSP90AA1 (0.48) | — | |
| SCHEMBL3698249 | 0.65 | HSP90AA1 (0.34) | — | |
| SCHEMBL3708166 | 0.65 | HSP90AA1 (0.47) | — | |
| SCHEMBL1863178 | 0.65 | HSP90AA1 (0.41) | — | |
| SCHEMBL3703667 | 0.64 | HSP90AA1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150183771-A1 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP (US) | 2015-07-02 | — | — | US | disclosed |
| US-8927548-B2 | Triazole compounds that modulate HSP90 activity | SYNTA PHARMACEUTICALS CORP. (US) | 2015-01-06 | — | — | US | disclosed |
| US-8318790-B2 | Triazole compounds that modulate HSP90 activity | SYNTA PHARMACEUTICALS CORP. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20120122869-A1 | TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. | 2012-05-17 | — | — | US | disclosed |
| EP-2034996-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | Synta Pharmaceuticals Corporation (US) | 2009-03-18 | — | — | EP | disclosed |
| US-20080090887-A1 | Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles | SYNTA PHARMACEUTICALS CORP. | 2008-04-17 | — | — | US | disclosed |
| WO-2007139955-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. (US) | 2007-12-06 | — | — | WO | disclosed |