⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18748584 | 0.74 | — | — | |
| SCHEMBL9068362 | 0.73 | — | — | |
| SCHEMBL15942693 | 0.71 | — | — | |
| SCHEMBL22821869 | 0.71 | — | — | |
| SCHEMBL12892665 | 0.71 | — | — | |
| SCHEMBL17248031 | 0.71 | — | — | |
| SCHEMBL10158134 | 0.69 | — | — | |
| SCHEMBL10622408 | 0.65 | — | — | |
| SCHEMBL6013620 | 0.65 | — | — | |
| SCHEMBL22102502 | 0.64 | — | — |
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-3771709-A1 | CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF | Farmington Pharma Development (US) | 2021-02-03 | — | — | EP | disclosed |