⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL580048 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL11809895 | 0.83 | CTH (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL4743453 | 0.83 | CTH (0.41) | — | |
| Hydrochloric Acid SCHEMBL11809897 | 0.83 | CTH (0.41) | — | |
| SCHEMBL24021305 | 0.73 | — | — | |
| SCHEMBL7859372 | 0.73 | — | — | |
| SCHEMBL21461380 | 0.73 | — | — | |
| SCHEMBL18541270 | 0.73 | — | — | |
| SCHEMBL17234241 | 0.73 | — | — | |
| SCHEMBL28619525 | 0.72 | NOS1 (0.48) | — |
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 |