⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10597939 | 0.81 | PNP (0.33) | — | |
| Triaziquone SCHEMBL149876 | 0.69 | MAPT (0.46) | — | |
| Triaziquone SCHEMBL2208738 | 0.67 | MAPT (0.46) | — | |
| Triaziquone SCHEMBL588726 | 0.67 | MAPT (0.46) | — | |
| Triaziquone SCHEMBL7117809 | 0.67 | MAPT (0.44) | — | |
| Triaziquone SCHEMBL8303 | 0.67 | DNMT1 (0.48) | — | |
| Triaziquone SCHEMBL8829051 | 0.67 | MAPT (0.42) | — | |
| SCHEMBL2385669 | 0.66 | PNP (0.34) | — | |
| Triaziquone SCHEMBL10906735 | 0.66 | HTT (0.43) | — | |
| Triaziquone SCHEMBL11039269 | 0.66 | MAPT (0.43) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0130126-B1 | (S)-9-(2,3-DIHYDROXY-1-PROPOXYMETHYL) GUANINE AND ITS ACYL DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTIHERPETIC AGENTS | MERCK & CO. INC. (US) | 1987-08-26 | — | — | EP | claimed |
| EP-0272446-B1 | NOVEL ANTIVIRAL AGENTS | SRI INTERNATIONAL (US) | 1992-11-11 | — | — | EP | disclosed |
| US-4360522-A | VIRICIDES | BURROUGHS WELLCOME CO. (US) | 1982-11-23 | — | — | US | disclosed |
| US-4294831-A | ANTIVIRAL ACTIVITY | BURROUGHS WELLCOME CO. (US) | 1981-10-13 | — | — | US | disclosed |
| US-4287188-A | PARTICULARLY 9-(2-HYDROXYETHOXYMETHYL) GUANINE MONOPHOSPHATE AND SALTS, USEFUL AS ANTIVIRIAL AGENTS | BURROUGHS WELLCOME CO. (US) | 1981-09-01 | — | — | US | disclosed |
| US-4146715-A | ANTIVIRAL AGENTS | BURROUGHS WELLCOME CO. (US) | 1979-03-27 | — | — | US | disclosed |