⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2652 | 0.73 | — | — | |
| SCHEMBL11466054 | 0.73 | — | — | |
| SCHEMBL3367366 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL2886819 | 0.71 | — | — | |
| SCHEMBL6140848 | 0.71 | — | — | |
| SCHEMBL6045139 | 0.71 | — | — | |
| SCHEMBL21803241 | 0.71 | — | — | |
| SCHEMBL3366779 | 0.70 | — | — | |
| SCHEMBL1977357 | 0.69 | — | — | |
| SCHEMBL7060556 | 0.68 | NPC1 (0.36) | — |
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 |