⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1572211 | 0.97 | — | — | |
| SCHEMBL56287 | 0.97 | — | — | |
| SCHEMBL56288 | 0.97 | — | — | |
| Fluoride SCHEMBL28170187 | 0.94 | — | — | |
| SCHEMBL2008113 | 0.88 | — | — | |
| SCHEMBL546953 | 0.88 | — | — | |
| SCHEMBL9497234 | 0.88 | — | — | |
| SCHEMBL27342962 | 0.87 | CES1 (0.37) | — | |
| SCHEMBL5613597 | 0.86 | CES2 (0.48) | — | |
| SCHEMBL1173873 | 0.86 | CES2 (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6271274-B1 | HARD POLYISOCYANURATE FOAM WITH OPEN CELLS AS SUPPORTERS TO FIX AND SUPPORT A PLANT WITH FOAMING AGENTS | TOYO QUALITY ONE CORPORATION (JP) | 2001-08-07 | — | — | US | disclosed |