⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27682466 | 0.79 | — | — | |
| SCHEMBL23921983 | 0.75 | — | — | |
| SCHEMBL466544 | 0.71 | — | — | |
| SCHEMBL28042137 | 0.70 | — | — | |
| SCHEMBL8608610 | 0.70 | — | — | |
| SCHEMBL27682498 | 0.68 | — | — | |
| SCHEMBL4164896 | 0.67 | — | — | |
| Dimethylamine SCHEMBL2247292 | 0.67 | — | — | |
| SCHEMBL236863 | 0.67 | — | — | |
| SCHEMBL3693748 | 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 |
|---|---|---|---|---|---|---|---|
| CN-101039973-A | Reactivity drift and catalyst degradation in polyurethane foam | FOAM SUPPLIES INC (US) | 2007-09-19 | — | — | CN | disclosed |
| EP-0254097-A2 | Catalyst mixtures for polyisocyanurate foam | THE CELOTEX CORPORATION (US) | 1988-01-27 | — | — | EP | disclosed |