⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3672730 | 0.71 | POLB (0.36) | — | |
| SCHEMBL714637 | 0.71 | — | — | |
| SCHEMBL2111397 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3396396 | 0.70 | POLB (0.34) | — | |
| SCHEMBL3395408 | 0.69 | — | — | |
| SCHEMBL4546154 | 0.68 | HSP90AA1 (0.36) | — | |
| SCHEMBL6026080 | 0.67 | — | — | |
| SCHEMBL9784645 | 0.64 | — | — | |
| SCHEMBL2111283 | 0.63 | HDAC8 (0.30) | — | |
| SCHEMBL312568 | 0.60 | — | — |
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 5 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-7138401-B2 | 2-aminopurine analogs having HSP90-inhibiting activity | 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-20050113340-A1 | 2-Aminopurine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION | 2005-05-26 | — | — | US | disclosed |
| WO-2005028434-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2005-03-31 | — | — | WO | disclosed |