⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18528361 | 0.80 | — | — | |
| SCHEMBL17234333 | 0.80 | — | — | |
| SCHEMBL23566612 | 0.79 | — | — | |
| SCHEMBL18528368 | 0.62 | — | — | |
| SCHEMBL17234318 | 0.62 | — | — | |
| SCHEMBL24241852 | 0.60 | ECE1 (0.31) | — | |
| SCHEMBL23586797 | 0.60 | — | — | |
| SCHEMBL18528400 | 0.60 | — | — | |
| SCHEMBL14466277 | 0.59 | — | — | |
| SCHEMBL24241861 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3950673-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Inspirna, Inc. (US) | 2022-02-09 | — | — | EP | disclosed |
| EP-3137447-B1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX INC (US) | 2021-06-30 | — | — | EP | disclosed |