⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL699216 | 0.83 | — | — | |
| Trimethylammonium SCHEMBL27513041 | 0.75 | — | — | |
| SCHEMBL4087092 | 0.71 | — | — | |
| SCHEMBL28080993 | 0.67 | — | — | |
| SCHEMBL191234 | 0.67 | — | — | |
| SCHEMBL432681 | 0.67 | — | — | |
| SCHEMBL474075 | 0.67 | — | — | |
| SCHEMBL1639742 | 0.67 | — | — | |
| SCHEMBL7594077 | 0.67 | — | — | |
| Methylamine SCHEMBL27634592 | 0.65 | — | — |
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-1463772-A1 | POLYSILOXANE SOLS, METHOD FOR THE PRODUCTION AND USE THEREOF | BASF Coatings AG (DE) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003057761-A1 | POLYSILOXANE SOLS, METHOD FOR THE PRODUCTION AND USE THEREOF | BASF COATINGS AG (DE) | 2003-07-17 | — | — | WO | disclosed |