⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22727920 | 1.00 | — | — | |
| SCHEMBL3915694 | 1.00 | — | — | |
| SCHEMBL20530472 | 1.00 | — | — | |
| SCHEMBL1756085 | 1.00 | — | — | |
| SCHEMBL22030681 | 1.00 | — | — | |
| SCHEMBL8163032 | 1.00 | — | — | |
| SCHEMBL22030685 | 1.00 | — | — | |
| SCHEMBL848613 | 0.80 | — | — | |
| SCHEMBL28796003 | 0.80 | THRB (0.33) | — | |
| SCHEMBL45273 | 0.80 | — | — |
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 3 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 |
| CN-110945122-A | Fructose-6-phosphate aldolase variants for aldol condensation carbon linking | 西班牙高等科研理事会 | 2020-03-31 | — | — | CN | disclosed |
| EP-3388518-A1 | FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS | Consejo Superior de Investigaciones Cientificas (CSIC) (ES) | 2018-10-17 | — | — | EP | disclosed |