⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL312547 | 0.83 | LMNA (0.41) | — | |
| SCHEMBL13918965 | 0.81 | LMNA (0.44) | — | |
| SCHEMBL22838716 | 0.76 | LMNA (0.30) | — | |
| SCHEMBL2941366 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL23122926 | 0.73 | — | — | |
| SCHEMBL4533971 | 0.73 | — | — | |
| SCHEMBL23660487 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL11719036 | 0.71 | — | — | |
| SCHEMBL9768822 | 0.71 | — | — | |
| SCHEMBL31295849 | 0.71 | LMNA (0.33) | — |
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 8 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 |
| US-20090318387-A1 | ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION | 2009-12-24 | — | — | US | disclosed |
| US-7544672-B2 | Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2009-06-09 | — | — | US | disclosed |
| EP-1869027-A2 | ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS | Conforma Therapeutics Corporation (US) | 2007-12-26 | — | — | EP | disclosed |
| US-20060223797-A1 | ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION | 2006-10-05 | — | — | US | disclosed |
| WO-2006105372-A2 | ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2006-10-05 | — | — | WO | disclosed |
| US-4064135-A | Certain thiazole-5-carboxamide compounds | SYNTEX (U.S.A.) INC. (US) | 1977-12-20 | — | — | US | disclosed |
| US-4064257-A | Thiazole cardiovascular agents | SYNTEX (U.S.A.) INC. (US) | 1977-12-20 | — | — | US | disclosed |