⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL311915 | 0.82 | ACHE (0.34) | — | |
| SCHEMBL3395148 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL3393674 | 0.72 | HTR2A (0.38) | — | |
| SCHEMBL27803696 | 0.72 | CA2 (0.37) | — | |
| SCHEMBL3396275 | 0.72 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL3393879 | 0.71 | — | — | |
| SCHEMBL312345 | 0.71 | ACHE (0.37) | — | |
| SCHEMBL3396308 | 0.70 | TUBB4A (0.40) | — | |
| SCHEMBL3392781 | 0.70 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL3397588 | 0.69 | MAPT (0.39) | — |
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 |