⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12889927 | 0.78 | — | — | |
| SCHEMBL18876163 | 0.78 | PKM (0.33) | — | |
| SCHEMBL22832602 | 0.71 | — | — | |
| SCHEMBL22832595 | 0.69 | BCKDK (0.57) | — | |
| SCHEMBL12680455 | 0.69 | BCKDK (0.41) | — | |
| SCHEMBL12310725 | 0.68 | BCKDK (0.56) | — | |
| SCHEMBL15276658 | 0.67 | MCL1 (0.37) | — | |
| SCHEMBL22832604 | 0.66 | — | — | |
| SCHEMBL18748456 | 0.66 | — | — | |
| SCHEMBL26371904 | 0.66 | NOTUM (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 |
|---|---|---|---|---|---|---|---|
| WO-2020261205-A1 | THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID COMPOUNDS HAVING BCKDK INHIBITING ACTIVITY | PFIZER INC. (US) | 2020-12-30 | — | — | WO | disclosed |