⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL27347323 | 0.82 | — | — | |
| Propane SCHEMBL27622840 | 0.78 | — | — | |
| Propane SCHEMBL28192510 | 0.78 | — | — | |
| Butane SCHEMBL292604 | 0.78 | — | — | |
| Formamide SCHEMBL1228753 | 0.77 | — | — | |
| Alcohol SCHEMBL28203341 | 0.75 | — | — | |
| Alcohol SCHEMBL3676193 | 0.75 | — | — | |
| Formamide SCHEMBL418356 | 0.72 | — | — | |
| Alcohol SCHEMBL8392613 | 0.72 | — | — | |
| Hexane SCHEMBL11778911 | 0.72 | — | — |
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-20110040070-A1 | ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-02-17 | — | — | US | disclosed |