⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22188948 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL4052333 | 0.85 | CCR5 (0.37) | — | |
| SCHEMBL6725187 | 0.84 | — | — | |
| SCHEMBL6725184 | 0.84 | — | — | |
| SCHEMBL28884630 | 0.83 | — | — | |
| SCHEMBL22189075 | 0.83 | EEF2K (0.35) | — | |
| SCHEMBL16552993 | 0.83 | — | — | |
| SCHEMBL6520656 | 0.80 | — | — | |
| Iodide SCHEMBL11780602 | 0.78 | EEF2K (0.38) | — | |
| SCHEMBL17686595 | 0.77 | EEF2K (0.34) | — |
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-2346919-A2 | ISOCYANATE TRIMERISATION CATALYST SYSTEM, A PRECURSOR FORMULATION, A PROCESS FOR TRIMERISING ISOCYANATES, RIGID POLYISOCYANURATE/POLYURETHANE FOAMS MADE THEREFROM, AND A PROCESS FOR MAKING SUCH FOAMS | Dow Global Technologies LLC (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010054317-A2 | AN ISOCYANATE TRIMERISATION CATALYST SYSTEM, A PRECURSOR FORMULATION, A PROCESS FOR TRIMERISING ISOCYANATES, RIGID POLYISOCYANURATE/POLYURETHANE FOAMS MADE THEREFROM, AND A PROCESS FOR MAKING SUCH FOAMS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-05-14 | — | — | WO | disclosed |