⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23139133 | 0.78 | — | — | |
| SCHEMBL22917991 | 0.77 | — | — | |
| SCHEMBL22832604 | 0.65 | — | — | |
| SCHEMBL23116638 | 0.63 | — | — | |
| SCHEMBL22845177 | 0.62 | — | — | |
| SCHEMBL22845161 | 0.60 | — | — | |
| SCHEMBL16995085 | 0.58 | ALDH1A1 (0.37) | — | |
| SCHEMBL22845175 | 0.54 | — | — | |
| SCHEMBL5379227 | 0.51 | — | — | |
| SCHEMBL25261957 | 0.51 | — | — |
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 |