⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8860812 | 0.85 | — | — | |
| SCHEMBL3269532 | 0.80 | HCAR2 (0.31) | — | |
| SCHEMBL3266018 | 0.77 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL3271146 | 0.76 | MAPT (0.33) | — | |
| SCHEMBL3266028 | 0.72 | — | — | |
| SCHEMBL1935261 | 0.71 | — | — | |
| SCHEMBL3269752 | 0.71 | NOS3 (0.36) | — | |
| SCHEMBL9588410 | 0.68 | — | — | |
| SCHEMBL2036945 | 0.67 | — | — | |
| SCHEMBL7620012 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1517881-B1 | 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-06-02 | — | — | EP | disclosed |
| US-7414064-B2 | 4-(3,3-dihalo-allyloxy) phenoxy alkyl derivatives | SYNGENTA CROP PROTECTION, INC. (US) | 2008-08-19 | — | — | US | disclosed |
| US-20070142445-A1 | 4-(3,3-Dihalo-Allyloxy) Phenoxy Alkyl Derivatives | SYNGENTA CROP PROTECTION, INC. (US) | 2007-06-21 | — | — | US | disclosed |
| US-7192965-B2 | 4-(3,3-dihalo-allyloxy)phenoxy alkyl derivatives | SYNGENTA CROP PROTECTION, INC. (US) | 2007-03-20 | — | — | US | disclosed |
| US-20050245583-A1 | 4-(3,3-dihalo-allyloxy)phenoxy alkyl derivatives | SYNGENTA CROP PROTECTION, INC. | 2005-11-03 | — | — | US | disclosed |
| 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 |
| US-5272170-A | Tetralones with pharmacological activity | J. URIACH & CIA., S.A. (ES) | 1993-12-21 | — | — | US | disclosed |
| US-5208246-A | Hypotensive, bronchodilator | J. URIACH & CIA. (ES) | 1993-05-04 | — | — | US | disclosed |
| EP-0489300-A2 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1992-06-10 | — | — | EP | disclosed |