⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20530462 | 1.00 | — | — | |
| SCHEMBL27757278 | 0.85 | GPR84 (0.42) | — | |
| SCHEMBL5618840 | 0.83 | GPR84 (0.45) | — | |
| SCHEMBL5107560 | 0.81 | THRB (0.39) | — | |
| SCHEMBL391722 | 0.81 | THRB (0.39) | — | |
| SCHEMBL2337444 | 0.80 | ALDH1A1 (0.56) | — | |
| SCHEMBL14320538 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL62312 | 0.79 | — | — | |
| SCHEMBL6441054 | 0.79 | — | — | |
| SCHEMBL20530452 | 0.79 | — | — |
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 4 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-3610011-A1 | FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS | Consejo Superior de Investigaciones Cientificas (CSIC) (ES) | 2020-02-19 | — | — | EP | disclosed |
| WO-2018189026-A1 | FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) | 2018-10-18 | — | — | WO | disclosed |
| EP-3388518-A1 | FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS | Consejo Superior de Investigaciones Cientificas (CSIC) (ES) | 2018-10-17 | — | — | EP | disclosed |