⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3899013 | 0.67 | — | — | |
| SCHEMBL465761 | 0.67 | TSHR (0.38) | — | |
| Butanol SCHEMBL27733434 | 0.62 | — | — | |
| Butanol SCHEMBL30637143 | 0.62 | — | — | |
| Butanol SCHEMBL1554783 | 0.62 | — | — | |
| Butanol SCHEMBL27942644 | 0.62 | — | — | |
| SCHEMBL30421723 | 0.62 | — | — | |
| SCHEMBL20920815 | 0.60 | — | — | |
| Butanol SCHEMBL11636263 | 0.57 | — | — | |
| Butanol SCHEMBL2012224 | 0.57 | TSHR (1.00) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1131273-B1 | 1,4-DIARYL-2-FLUORO-1-BUTEN-3-OL COMPOUNDS AND THEIR USE IN THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS | BASF AG (DE) | 2003-10-22 | — | — | EP | disclosed |
| US-6342642-B1 | DEHYDROXYLATION OF HALOBUTENOL COMPOUNDS TO FORM BUTADIENES | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-29 | — | — | US | disclosed |