⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL501171 | 0.83 | — | — | |
| SCHEMBL501116 | 0.71 | TLR7 (0.35) | — | |
| SCHEMBL501515 | 0.60 | KCNH2 (0.41) | — | |
| SCHEMBL501208 | 0.59 | NPC1 (0.32) | — | |
| SCHEMBL7850057 | 0.58 | GRIN1 (0.37) | — | |
| SCHEMBL501287 | 0.56 | ACMSD (0.30) | — | |
| SCHEMBL7842674 | 0.55 | ALDH1A1 (0.33) | — | |
| SCHEMBL6086452 | 0.55 | PDE3B (0.38) | — | |
| Pyridine, 4-(1,3-Dioxalan-2-Yl) SCHEMBL3965171 | 0.54 | ALDH1A1 (0.44) | — | |
| SCHEMBL10442450 | 0.54 | CYP17A1 (0.55) | — |
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-8106064-B2 | administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2012-01-31 | — | — | US | disclosed |
| US-20100034827-A1 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2010-02-11 | — | — | US | disclosed |
| EP-2044037-A2 | HIV REVERSE TRANSCRIPTASE INHIBITORS | Gilead Sciences, Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| US-20080070920-A1 | Novel HIV reverse transcriptase inhibitors | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-03-20 | — | — | US | disclosed |
| WO-2008016522-A2 | HIV REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2008-02-07 | — | — | WO | disclosed |