⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3391484 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL3391757 | 0.84 | NCF1 (0.33) | — | |
| SCHEMBL3391774 | 0.81 | TDP1 (0.35) | — | |
| SCHEMBL3396150 | 0.76 | LMNA (0.35) | — | |
| SCHEMBL3395751 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL3393880 | 0.75 | CA12 (0.33) | — | |
| SCHEMBL312400 | 0.74 | AGXT (0.35) | — | |
| SCHEMBL3391849 | 0.74 | CNR2 (0.32) | — | |
| SCHEMBL3394614 | 0.72 | — | — | |
| SCHEMBL313556 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-7138401-B2 | 2-aminopurine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION (US) | 2006-11-21 | — | — | US | disclosed |
| US-20050113340-A1 | 2-Aminopurine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION | 2005-05-26 | — | — | US | disclosed |