⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3883603 | 0.83 | SLC6A4 (0.30) | — | |
| SCHEMBL2895673 | 0.83 | SLC6A4 (0.30) | — | |
| Hydrogen Peroxide SCHEMBL17420814 | 0.79 | MAPT (0.30) | — | |
| SCHEMBL6916566 | 0.74 | CYP1A2 (0.33) | — | |
| SCHEMBL15310059 | 0.73 | CYP1A2 (0.32) | — | |
| SCHEMBL23740763 | 0.69 | CYP2C19 (0.35) | — | |
| SCHEMBL23740691 | 0.69 | CYP1A2 (0.33) | — | |
| SCHEMBL2997127 | 0.68 | — | — | |
| SCHEMBL11666803 | 0.67 | — | — | |
| SCHEMBL9766073 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200165640-A1 | FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS | SUSTAINABLE MOMENTUM, S.L. (ES) | 2020-05-28 | — | — | US | disclosed |
| EP-3388518-A1 | FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS | Consejo Superior de Investigaciones Cientificas (CSIC) (ES) | 2018-10-17 | — | — | EP | disclosed |