⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17106717 | 1.00 | — | — | |
| SCHEMBL17106700 | 0.87 | — | — | |
| SCHEMBL17114386 | 0.87 | — | — | |
| SCHEMBL17106687 | 0.83 | — | — | |
| SCHEMBL17131366 | 0.83 | — | — | |
| SCHEMBL17114363 | 0.82 | SLC28A1 (0.30) | — | |
| SCHEMBL17106834 | 0.82 | SLC28A1 (0.30) | — | |
| SCHEMBL17106774 | 0.79 | — | — | |
| SCHEMBL17106723 | 0.76 | POLRMT (0.33) | — | |
| SCHEMBL17106850 | 0.75 | HSPA5 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3122752-A1 | 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-02-01 | — | — | EP | disclosed |
| WO-2015148746-A1 | 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-01 | — | — | WO | disclosed |