⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL67637 | 0.93 | — | — | |
| SCHEMBL27173955 | 0.93 | TSHR (1.00) | — | |
| Methoxymethane SCHEMBL28021870 | 0.90 | TSHR (0.93) | — | |
| SCHEMBL27850925 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL27511962 | 0.90 | — | — | |
| Water SCHEMBL20578221 | 0.90 | TSHR (0.93) | — | |
| Amylene Hydrate SCHEMBL9870861 | 0.88 | ALDH1A1 (0.77) | — | |
| Bicarbonate SCHEMBL28588982 | 0.85 | TSHR (0.72) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL8369365 | 0.79 | TSHR (0.62) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL10534210 | 0.77 | TSHR (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1663916-B1 | METHOD FOR CATALYTIC DEOXYGENATION OF PROCESS FLUIDS OF OLEFIN DIMERIZATION PROCESSES | NESTE OIL OYJ (FI) | 2009-07-01 | — | — | EP | disclosed |