⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL704301 | 0.76 | ESR1 (0.34) | — | |
| SCHEMBL706744 | 0.71 | — | — | |
| SCHEMBL8423080 | 0.67 | GABRA1 (0.44) | — | |
| SCHEMBL8419401 | 0.66 | GABRA1 (0.39) | — | |
| SCHEMBL705009 | 0.65 | ESR1 (0.34) | — | |
| SCHEMBL706421 | 0.65 | ESR1 (0.34) | — | |
| SCHEMBL8419405 | 0.64 | GABRA1 (0.41) | — | |
| SCHEMBL8421315 | 0.64 | GABRA1 (0.41) | — | |
| SCHEMBL987729 | 0.63 | ACHE (0.43) | — | |
| SCHEMBL20272488 | 0.62 | TSHR (0.41) | — |
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-6800751-B2 | ALKYLATION OF 2'-HYDROXY GROUP OF RIBONUCLEOSIDE PROTECTED WITH INVENTIVE SILYLATING AGENTS IN PRESENCE OF EXCESS OF MILD HINDERED BASE MAY BE CARRIED OUT WITHOUT PROTECTING EXOCYCLIC AMINE AND OXO FUNCTIONALITIES OF NUCLEOBASES | ISIS PHARMACEUTICALS, INC. | 2004-10-05 | — | — | US | disclosed |
| US-20030225262-A1 | Reagent and process for protecting active groups | IONIS PHARMACEUTICALS, INC. | 2003-12-04 | — | — | US | disclosed |
| WO-2003087053-A2 | REAGENT AND PROCESS FOR PROTECTING NUCLEOSIDE ACTIVE GROUPS | ISIS PHARMACEUTICALS, INC. (US) | 2003-10-23 | — | — | WO | disclosed |