⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35798 | 1.00 | — | — | |
| SCHEMBL5528595 | 1.00 | — | — | |
| SCHEMBL5524685 | 1.00 | — | — | |
| SCHEMBL30368919 | 0.96 | HSD17B10 (0.60) | — | |
| Methoxymethane SCHEMBL728290 | 0.93 | HSD17B10 (0.57) | — | |
| Ethylene SCHEMBL8898059 | 0.93 | HSD17B10 (0.57) | — | |
| SCHEMBL23560611 | 0.90 | HSD17B10 (0.62) | — | |
| Trimethylammonium SCHEMBL9635326 | 0.90 | HSD17B10 (0.55) | — | |
| SCHEMBL8962559 | 0.90 | HSD17B10 (0.55) | — | |
| SCHEMBL483498 | 0.90 | — | — |
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-2407531-A1 | Microorganisms with extended substrate utilization range | Neste Oil Oyj (FI) | 2012-01-18 | — | — | EP | disclosed |