⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL312400 | 0.83 | AGXT (0.35) | — | |
| SCHEMBL3394614 | 0.77 | — | — | |
| SCHEMBL3391484 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL3390537 | 0.73 | — | — | |
| SCHEMBL3393971 | 0.71 | — | — | |
| SCHEMBL3396150 | 0.69 | LMNA (0.35) | — | |
| SCHEMBL3393880 | 0.68 | CA12 (0.33) | — | |
| SCHEMBL311410 | 0.67 | — | — | |
| SCHEMBL3391849 | 0.67 | CNR2 (0.32) | — | |
| SCHEMBL3391774 | 0.67 | TDP1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8093229-B2 | Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2012-01-10 | — | — | US | disclosed |
| EP-2145888-A1 | Deazapurine derivatives as HSP90-Inhibitors | Conforma Therapeutics Corporation (US) | 2010-01-20 | — | — | EP | disclosed |
| US-20090318387-A1 | ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION | 2009-12-24 | — | — | US | disclosed |