⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18651676 | 0.78 | — | — | |
| SCHEMBL269699 | 0.74 | ADH1A (0.40) | — | |
| SCHEMBL270491 | 0.74 | — | — | |
| SCHEMBL20115740 | 0.72 | — | — | |
| SCHEMBL25144494 | 0.70 | — | — | |
| SCHEMBL24806925 | 0.69 | CA12 (0.30) | — | |
| SCHEMBL19661015 | 0.65 | — | — | |
| SCHEMBL5412874 | 0.65 | — | — | |
| SCHEMBL5412878 | 0.65 | — | — | |
| SCHEMBL7992132 | 0.63 | — | — |
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-20170334823-A1 | METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-11-23 | — | — | US | disclosed |