⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL311670 | 0.77 | — | — | |
| SCHEMBL3393490 | 0.75 | — | — | |
| SCHEMBL3393700 | 0.73 | — | — | |
| SCHEMBL3396412 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL3393690 | 0.71 | — | — | |
| SCHEMBL3391555 | 0.71 | — | — | |
| SCHEMBL3395866 | 0.68 | AGXT (0.31) | — | |
| SCHEMBL3396359 | 0.68 | — | — | |
| SCHEMBL4064466 | 0.67 | — | — | |
| SCHEMBL10679301 | 0.65 | CYP1A2 (0.30) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101906106-A | New heterogeneous ring compound as the HSP90-inhibitor | CONFORMA THERAPEUTICS CORP | 2010-12-08 | — | — | CN | disclosed |
| CN-1882589-B | Novel heterocyclic compounds as HSP 90-inhibitors | CONFORMA THERAPEUTICS CORP | 2010-06-09 | — | — | CN | disclosed |
| EP-2145888-A1 | Deazapurine derivatives as HSP90-Inhibitors | Conforma Therapeutics Corporation (US) | 2010-01-20 | — | — | EP | disclosed |
| US-20070185064-A1 | 2-Aminopurine Analogs Having HSP90-Inhibiting Activity | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-08-09 | — | — | US | disclosed |
| US-20070111997-A1 | Triazolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-05-17 | — | — | US | disclosed |
| CN-1882589-A | Novel heterocyclic compounds as HSP 90-inhibitors | CONFORMA THERAPEUTICS CORP (US) | 2006-12-20 | — | — | CN | disclosed |
| US-7138401-B2 | 2-aminopurine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION (US) | 2006-11-21 | — | — | US | disclosed |
| US-7129244-B2 | Triazolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2006-10-31 | — | — | US | disclosed |
| US-20050113339-A1 | Triazolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION | 2005-05-26 | — | — | US | disclosed |
| US-20050113340-A1 | 2-Aminopurine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION | 2005-05-26 | — | — | US | disclosed |