⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17234335 | 0.82 | — | — | |
| SCHEMBL18528436 | 0.82 | — | — | |
| SCHEMBL18528392 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL18528393 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL17234406 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL18528415 | 0.60 | TSHR (0.34) | — | |
| SCHEMBL13041016 | 0.56 | — | — | |
| SCHEMBL18106773 | 0.55 | PTGS1 (0.30) | — | |
| SCHEMBL13863427 | 0.55 | LMNA (0.45) | — | |
| SCHEMBL23566612 | 0.54 | — | — |
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-3137447-B1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX INC (US) | 2021-06-30 | — | — | EP | disclosed |