⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18724422 | 0.67 | — | — | |
| SCHEMBL965869 | 0.65 | — | — | |
| SCHEMBL603469 | 0.60 | — | — | |
| SCHEMBL19091768 | 0.60 | — | — | |
| SCHEMBL6579137 | 0.58 | — | — | |
| SCHEMBL23087133 | 0.56 | — | — | |
| SCHEMBL4442953 | 0.56 | — | — | |
| 1,2-Dichloroethane SCHEMBL3731225 | 0.55 | — | — | |
| SCHEMBL9455475 | 0.55 | — | — | |
| SCHEMBL1505665 | 0.53 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220169639-A1 | N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2022-06-02 | — | — | US | disclosed |
| EP-0708856-A1 | COMPOUNDS FOR CATIONIZING TEXTILE FIBRES, PROCESS FOR PREPARING THESE COMPOUNDS, AND PROCESS FOR FINISHING TEXTILE FIBRES | VYZKUMNY USTAV TEXTILNIHO ZUSLECHTOVANI (CZ) | 1996-05-01 | — | — | EP | disclosed |
| WO-1995030792-A1 | COMPOUNDS FOR CATIONIZING TEXTILE FIBRES, PROCESS FOR PREPARING THESE COMPOUNDS, AND PROCESS FOR FINISHING TEXTILE FIBRES | V¦ZKUMN¦ ÚSTAV TEXTILNÍHO ZUS^¿LECHTOVÁNÍ (CZ) | 1995-11-16 | — | — | WO | disclosed |