⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1936 | 0.95 | — | — | |
| SCHEMBL27913328 | 0.95 | — | — | |
| SCHEMBL29728464 | 0.90 | — | — | |
| SCHEMBL9242179 | 0.90 | — | — | |
| Dimethylamine SCHEMBL27456317 | 0.90 | — | — | |
| SCHEMBL30851373 | 0.90 | ADH1B (0.35) | — | |
| SCHEMBL11441555 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL5695597 | 0.90 | — | — | |
| SCHEMBL29178581 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL27602387 | 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 |
|---|---|---|---|---|---|---|---|
| US-5354877-A | Heating, pressurizing the chemical reduction of linoleic acid to form oleic acid, elaidic acid and stearic acid | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1994-10-11 | — | — | US | disclosed |