⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7470590 | 0.86 | — | — | |
| SCHEMBL19153197 | 0.81 | — | — | |
| SCHEMBL10420937 | 0.77 | ADH1B (0.37) | — | |
| SCHEMBL15815269 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29180657 | 0.76 | — | — | |
| SCHEMBL3132758 | 0.74 | — | — | |
| SCHEMBL1752604 | 0.74 | — | — | |
| SCHEMBL742837 | 0.74 | — | — | |
| SCHEMBL10656483 | 0.72 | — | — | |
| SCHEMBL5964152 | 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 |
|---|---|---|---|---|---|---|---|
| CN-105316049-A | Hydrocarbyl soluble quaternary ammonium carboxylates and fuel compositions containing them | AFTON CHEMICAL CORP | 2016-02-10 | — | — | CN | disclosed |