⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6138251 | 0.69 | — | — | |
| SCHEMBL7904518 | 0.64 | — | — | |
| SCHEMBL7093988 | 0.64 | — | — | |
| SCHEMBL7183777 | 0.64 | — | — | |
| SCHEMBL11843684 | 0.60 | — | — | |
| SCHEMBL9056720 | 0.59 | — | — | |
| SCHEMBL3978359 | 0.59 | — | — | |
| SCHEMBL135417 | 0.59 | — | — | |
| SCHEMBL1149120 | 0.56 | — | — | |
| SCHEMBL946203 | 0.55 | — | — |
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-1307418-A2 | PROCESS FOR THE PREPARATION OF CHIRAL 1,4-DIARYL-2-FLUORO-2-BUTENES | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-07 | — | — | EP | disclosed |
| WO-2002012155-A2 | PROCESS FOR THE PREPARATION OF CHIRAL 1,4-DIARYL-2-FLUORO-2-BUTENES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-14 | — | — | WO | disclosed |