⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6140994 | 0.75 | — | — | |
| SCHEMBL6141073 | 0.73 | — | — | |
| SCHEMBL338948 | 0.71 | — | — | |
| SCHEMBL5987195 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL232421 | 0.71 | — | — | |
| SCHEMBL6141431 | 0.69 | — | — | |
| SCHEMBL17607648 | 0.69 | LMNA (0.34) | — | |
| SCHEMBL8811332 | 0.69 | — | — | |
| SCHEMBL17183622 | 0.67 | — | — | |
| SCHEMBL11200549 | 0.67 | — | — |
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-1517881-A1 | 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES | Syngenta Participations AG (CH) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004002943-A1 | 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2004-01-08 | — | — | WO | disclosed |