⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24241908 | 0.85 | — | — | |
| SCHEMBL17234334 | 0.80 | — | — | |
| SCHEMBL18528413 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL18528415 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL18553666 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL17234402 | 0.74 | MAPT (0.32) | — | |
| SCHEMBL23586914 | 0.74 | MAPT (0.32) | — | |
| SCHEMBL23586912 | 0.73 | BHMT (0.37) | — | |
| SCHEMBL17234321 | 0.73 | BHMT (0.37) | — | |
| SCHEMBL17234408 | 0.73 | ALDH1A1 (0.31) | — |
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-3950673-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Inspirna, Inc. (US) | 2022-02-09 | — | — | EP | disclosed |