⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3765597 | 0.77 | — | — | |
| SCHEMBL194435 | 0.75 | — | — | |
| SCHEMBL12516855 | 0.74 | — | — | |
| SCHEMBL133211 | 0.72 | — | — | |
| SCHEMBL19712056 | 0.72 | — | — | |
| SCHEMBL6141362 | 0.72 | — | — | |
| SCHEMBL14027083 | 0.72 | — | — | |
| SCHEMBL16864194 | 0.71 | NPC1 (0.36) | — | |
| SCHEMBL17264964 | 0.71 | NPC1 (0.36) | — | |
| SCHEMBL1723955 | 0.69 | — | — |
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 |