⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29622855 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL1361550 | 0.78 | — | — | |
| SCHEMBL11454407 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4194327 | 0.75 | ALDH1A1 (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL29189197 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5332895 | 0.75 | — | — | |
| SCHEMBL27768635 | 0.75 | — | — | |
| SCHEMBL6840593 | 0.67 | — | — | |
| SCHEMBL23752133 | 0.67 | DGAT1 (0.37) | — | |
| Acetic Acid Methyl Ester SCHEMBL27699971 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3717453-A2 | CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF | Ultragenyx Pharmaceutical Inc. (US) | 2020-10-07 | — | — | EP | disclosed |