⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9358718 | 0.76 | GAA (0.37) | — | |
| SCHEMBL27985614 | 0.73 | — | — | |
| SCHEMBL7543688 | 0.73 | — | — | |
| SCHEMBL28110736 | 0.73 | — | — | |
| SCHEMBL35709 | 0.71 | — | — | |
| SCHEMBL4553719 | 0.71 | — | — | |
| Water SCHEMBL8015202 | 0.70 | — | — | |
| SCHEMBL361310 | 0.69 | — | — | |
| SCHEMBL638200 | 0.68 | — | — | |
| SCHEMBL93928 | 0.68 | GAA (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1117726-B1 | COSMETIC PRODUCTS BASED ON URETHANE(METH)ACRYLATES CONTAINING SILOXANE GROUPS AND THEIR FREE RADICAL POLYMERISATION PRODUCTS | BASF AG (DE) | 2006-05-03 | — | — | EP | disclosed |
| EP-1117726-A1 | URETHANE(METH)ACRYLATES CONTAINING SILOXANE GROUPS AND ABLE TO UNDERGO FREE-RADICAL POLYMERISATION | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000012588-A1 | URETHANE(METH)ACRYLATES CONTAINING SILOXANE GROUPS AND ABLE TO UNDERGO FREE-RADICAL POLYMERISATION | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-09 | — | — | WO | disclosed |