⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5172041 | 0.70 | — | — | |
| SCHEMBL11024745 | 0.67 | — | — | |
| SCHEMBL14272678 | 0.67 | — | — | |
| SCHEMBL12477352 | 0.65 | — | — | |
| SCHEMBL17190607 | 0.64 | — | — | |
| SCHEMBL822928 | 0.64 | — | — | |
| SCHEMBL21444989 | 0.64 | — | — | |
| SCHEMBL20483053 | 0.64 | — | — | |
| SCHEMBL8629 | 0.64 | — | — | |
| SCHEMBL6854399 | 0.64 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12037623-B2 | Enzymatic synthesis of 4′-ethynyl nucleoside analogs | Merck, Sharp & Dohme LLC (US) | 2024-07-16 | — | — | US | disclosed |
| US-20220228184-A1 | ENZYMATIC SYNTHESIS OF 4'-ETHYNYL NUCLEOSIDE ANALOGS | MERCK SHARP & DOHME CORP. (US) | 2022-07-21 | — | — | US | disclosed |
| EP-3820473-A1 | ENZYMATIC SYNTHESIS OF 4'-ETHYNYL NUCLEOSIDE ANALOGS | Merck Sharp & Dohme Corp. (US) | 2021-05-19 | — | — | EP | disclosed |
| 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 |