⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL311841 | 0.76 | — | — | |
| SCHEMBL7200717 | 0.70 | — | — | |
| Butylated Hydroxytoluene SCHEMBL7247214 | 0.63 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL4843472 | 0.57 | — | — | |
| SCHEMBL17495192 | 0.56 | — | — | |
| SCHEMBL3757024 | 0.53 | — | — | |
| SCHEMBL21777389 | 0.51 | — | — | |
| SCHEMBL27529973 | 0.50 | — | — | |
| SCHEMBL7111141 | 0.49 | — | — | |
| SCHEMBL18677072 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0557404-B1 | ANTIVIRAL USE OF A 2,6-DI-t-BUTYLPHENOL COMPOUND SUBSTITUTED IN POSITION 4, PARTICULARLY IN RELATION TO HERPESVIRUSES AND PAPILLOMAVIRUSES | FILECO SA (FR) | 1996-05-15 | — | — | EP | disclosed |
| US-5487893-A | Antiviral use of a 2,6-di-t-butylphenol compound substituted in 4 position against herpes viruses and papillomaviruses | FILECO (FR) | 1996-01-30 | — | — | US | disclosed |
| EP-0557404-A1 | ANTIVIRAL USE OF A 2,6-DI-t-BUTYLPHENOL COMPOUND SUBSTITUTED IN POSITION 4, PARTICULARLY IN RELATION TO HERPESVIRUSES AND PAPILLOMAVIRUSES. | FILECO SA (FR) | 1993-09-01 | — | — | EP | disclosed |
| WO-1992008450-A2 | ANTIVIRAL USE OF A 2,6-DI-t-BUTYLPHENOL COMPOUND SUBSTITUTED IN POSITION 4, PARTICULARLY IN RELATION TO HERPESVIRUSES AND PAPILLOMAVIRUSES | FILECO (FR) | 1992-05-29 | — | — | WO | disclosed |