⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL554590 | 0.97 | — | — | |
| Cyclopropane SCHEMBL3206743 | 0.88 | — | — | |
| SCHEMBL2964602 | 0.88 | — | — | |
| SCHEMBL1143089 | 0.73 | — | — | |
| SCHEMBL372625 | 0.71 | — | — | |
| SCHEMBL8832908 | 0.69 | — | — | |
| SCHEMBL495516 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL495411 | 0.67 | — | — | |
| SCHEMBL372481 | 0.67 | — | — | |
| SCHEMBL1275977 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8658752-B2 | Use of partially silanized polyisocyanate-based compounds as crosslinking-agents in coating compositions, and coating compositions comprising the compounds | BASF COATINGS GMBH (DE) | 2014-02-25 | — | — | US | disclosed |
| US-20110269897-A1 | USE OF PARTIALLY SILANIZED POLYISOCYANATE-BASED COMPOUNDS AS CROSSLINKING-AGENTS IN COATING COMPOSITIONS, AND COATING COMPOSITIONS COMPRISING THE COMPOUNDS | BASF COATINGS GMBH (DE) | 2011-11-03 | — | — | US | disclosed |