⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1973749 | 0.79 | — | — | |
| SCHEMBL19712257 | 0.77 | ALDH1A1 (0.30) | — | |
| Fumaric Acid SCHEMBL1967229 | 0.75 | HCAR2 (0.38) | — | |
| SCHEMBL121490 | 0.72 | — | — | |
| SCHEMBL1046319 | 0.72 | — | — | |
| SCHEMBL768197 | 0.71 | ALOX15 (0.30) | — | |
| SCHEMBL9794513 | 0.71 | — | — | |
| SCHEMBL1038260 | 0.71 | — | — | |
| SCHEMBL9581106 | 0.71 | — | — | |
| SCHEMBL6943125 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009083503-A2 | METHOD FOR PREPARING ISOCYANATOSILANES BY NUCLEOPHILIC SUBSTITUTION REACTION ON HALOGENOSILANES | RHODIA OPERATIONS (FR) | 2009-07-09 | — | — | WO | disclosed |
| US-20060247407-A1 | Polymers with urea groups and silyl groups and production and use thereof | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) | 2006-11-02 | — | — | US | disclosed |
| US-7057001-B2 | Polymers with urea groups and silyl groups and production and use thereof | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2006-06-06 | — | — | US | disclosed |
| US-20050260401-A1 | Polymers with urea groups and silyl groups and production and use thereof | HENKEL AG & CO. KGAA (DE) | 2005-11-24 | — | — | US | disclosed |
| EP-1328586-A1 | POLYMERS WITH UREA GROUPS AND SILYL GROUPS AND PRODUCTION AND USE THEREOF | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-07-23 | — | — | EP | disclosed |
| WO-2002034838-A1 | POLYMERS WITH UREA GROUPS AND SILYL GROUPS AND PRODUCTION AND USE THEREOF | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-05-02 | — | — | WO | disclosed |