⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17106733 | 0.89 | STING1 (0.31) | — | |
| SCHEMBL17106728 | 0.85 | DOT1L (0.33) | — | |
| SCHEMBL17106865 | 0.84 | STING1 (0.30) | — | |
| SCHEMBL17114389 | 0.78 | DOT1L (0.33) | — | |
| SCHEMBL17114384 | 0.77 | — | — | |
| SCHEMBL17114385 | 0.77 | — | — | |
| SCHEMBL17106807 | 0.77 | — | — | |
| SCHEMBL17106684 | 0.74 | DOT1L (0.35) | — | |
| SCHEMBL17106841 | 0.73 | — | — | |
| SCHEMBL17130322 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180002366-A1 | 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-01-04 | — | — | US | disclosed |
| US-9777035-B2 | 4′-substituted nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-10-03 | — | — | US | disclosed |
| 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 |
| US-20150274767-A1 | 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-01 | — | — | US | disclosed |