⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8994872 | 0.83 | THRB (0.39) | — | |
| SCHEMBL6139633 | 0.78 | TSHR (0.44) | — | |
| SCHEMBL17476629 | 0.75 | THRB (0.44) | — | |
| SCHEMBL2490676 | 0.75 | — | — | |
| SCHEMBL891844 | 0.75 | — | — | |
| SCHEMBL895724 | 0.75 | — | — | |
| SCHEMBL6141110 | 0.73 | — | — | |
| SCHEMBL7116374 | 0.73 | — | — | |
| SCHEMBL6959767 | 0.73 | — | — | |
| SCHEMBL17642154 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7834120-B2 | Monofunctional monomer having cage oligosiloxane structure and method of making | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| EP-1645560-B1 | Monofunctional monomer having cage oligosiloxane structure and method of making | SHINETSU CHEMICAL CO (JP) | 2008-05-28 | — | — | EP | disclosed |
| EP-1645560-A1 | Monofunctional monomer having cage oligosiloxane structure and method of making | Shin-Etsu Chemical Co., Ltd. (JP) | 2006-04-12 | — | — | EP | disclosed |
| US-20060074213-A1 | Monofunctional monomer having cage oligosiloxane structure and method of making | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2006-04-06 | — | — | 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 |