⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6141446 | 0.93 | TSHR (0.32) | — | |
| SCHEMBL6141585 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL4076165 | 0.89 | CETP (0.33) | — | |
| SCHEMBL1426643 | 0.73 | — | — | |
| SCHEMBL3413093 | 0.68 | TSHR (0.35) | — | |
| SCHEMBL24308962 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL23572529 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL25862811 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL15662554 | 0.64 | TSHR (0.38) | — | |
| SCHEMBL1425923 | 0.63 | — | — |
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 6 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 |
| EP-0914307-B1 | ENZYMATICALLY REMOVABLE LINKERS FOR SOLID PHASE SYNTHESIS | BASF AG (DE) | 2004-09-15 | — | — | EP | disclosed |
| WO-2004002943-A1 | 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2004-01-08 | — | — | WO | disclosed |
| US-6271345-B1 | FOR SYNTHESIS OF ORGANIC COMPOUNDS, COMBINATORIAL CHEMISTRY | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-07 | — | — | US | disclosed |
| EP-0914307-A1 | ENZYMATICALLY REMOVABLE LINKERS FOR SOLID PHASE SYNTHESIS | BASF AKTIENGESELLSCHAFT (DE) | 1999-05-12 | — | — | EP | disclosed |
| WO-1998001406-A1 | ENZYMATICALLY REMOVABLE LINKERS FOR SOLID PHASE SYNTHESIS | BASF AKTIENGESELLSCHAFT (DE) | 1998-01-15 | — | — | WO | disclosed |