⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12914531 | 0.77 | — | — | |
| SCHEMBL14564635 | 0.74 | — | — | |
| SCHEMBL2589501 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL14540222 | 0.74 | — | — | |
| SCHEMBL2589504 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL2589498 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL27361335 | 0.72 | ALOX15 (0.41) | — | |
| Malonic Acid SCHEMBL16431048 | 0.71 | LDHA (0.64) | — | |
| Malonic Acid SCHEMBL11533505 | 0.71 | LDHA (0.64) | — | |
| SCHEMBL18658872 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022198196-A1 | INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF | MAZE THERAPEUTICS, INC. (US) | 2022-09-22 | — | — | WO | disclosed |