⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL335789 | 0.63 | HSD17B10 (0.38) | — | |
| SCHEMBL7903287 | 0.61 | — | — | |
| SCHEMBL6422489 | 0.58 | — | — | |
| SCHEMBL15779925 | 0.58 | — | — | |
| SCHEMBL28994772 | 0.56 | — | — | |
| SCHEMBL28289485 | 0.55 | — | — | |
| SCHEMBL6422477 | 0.54 | — | — | |
| SCHEMBL23722482 | 0.54 | ALDH1A1 (0.47) | — | |
| SCHEMBL3750913 | 0.54 | — | — | |
| SCHEMBL29972 | 0.54 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6756496-B1 | SUCH AS TRIETHYLAMMONIUM-5'-DIMETHOXYTRITYL-3'-THYMIDINE-HYDROGEN PHOSPHONONDITHIOATE FOR USE AS ANTIVIRAL AND ANTICANCER AGENTS | ISIS PHARMACEUTICALS, INC. | 2004-06-29 | — | — | US | disclosed |
| US-5565555-A | Nucleoside hydrogen phosphonodithioate diesters and activated phosphonodithioate analogues | GILEAD SCIENCES, INC. (US) | 1996-10-15 | — | — | US | disclosed |
| US-5194599-A | Forming linkages with nuclosides and nucleotides; viricides, anticarcinogenic agents | GILEAD SCIENCES, INC. (US) | 1993-03-16 | — | — | US | disclosed |
| EP-0360609-A2 | Novel hydrogen phosphonodithioate compositions | GILEAD SCIENCES, INC. (US) | 1990-03-28 | — | — | EP | disclosed |