⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3393659 | 0.78 | — | — | |
| SCHEMBL311495 | 0.74 | HSP90AA1 (0.45) | — | |
| SCHEMBL2111397 | 0.73 | — | — | |
| SCHEMBL29880665 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL9702186 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL6026080 | 0.68 | — | — | |
| SCHEMBL3394516 | 0.68 | RAPGEF4 (0.30) | — | |
| SCHEMBL6026676 | 0.63 | — | — | |
| SCHEMBL4062005 | 0.63 | — | — | |
| SCHEMBL1044124 | 0.62 | — | — |
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 12 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-20070173483-A1 | Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-07-26 | — | — | US | disclosed |
| US-20070111996-A1 | Pyrazolopyrimidines 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-7148228-B2 | Pyrazolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2006-12-12 | — | — | US | disclosed |
| US-7138402-B2 | Pyrrolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2006-11-21 | — | — | US | disclosed |
| EP-1670802-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | Conforma Therapeutic Corporation (US) | 2006-06-21 | — | — | EP | disclosed |
| US-20050119282-A1 | Pyrazolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION | 2005-06-02 | — | — | US | disclosed |
| US-20050107343-A1 | Pyrrolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION | 2005-05-19 | — | — | US | disclosed |
| WO-2005028434-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2005-03-31 | — | — | WO | disclosed |