⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4569648 | 0.82 | — | — | |
| SCHEMBL12284717 | 0.82 | — | — | |
| SCHEMBL12548959 | 0.79 | — | — | |
| SCHEMBL5703610 | 0.78 | — | — | |
| SCHEMBL18744692 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL11036873 | 0.76 | HSD17B10 (0.36) | — | |
| SCHEMBL4062152 | 0.75 | — | — | |
| SCHEMBL4651438 | 0.75 | — | — | |
| SCHEMBL14439107 | 0.75 | — | — | |
| SCHEMBL20794533 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012021983-A1 | SUGAR PLANT DERIVED BY-PRODUCTS AND METHODS OF PRODUCTION THEREOF | FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) | 2012-02-23 | — | — | WO | disclosed |