⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25224470 | 0.85 | LPL (0.37) | — | |
| SCHEMBL25222741 | 0.74 | JAK2 (0.34) | — | |
| SCHEMBL16815439 | 0.72 | LPL (0.40) | — | |
| SCHEMBL26927372 | 0.71 | JAK2 (0.34) | — | |
| SCHEMBL23409514 | 0.68 | LPL (0.37) | — | |
| SCHEMBL8236344 | 0.67 | LPL (0.36) | — | |
| SCHEMBL1646761 | 0.66 | LPL (0.44) | — | |
| SCHEMBL25503944 | 0.66 | LPL (0.42) | — | |
| SCHEMBL22190744 | 0.66 | LPL (0.38) | — | |
| SCHEMBL26607057 | 0.66 | JAK2 (0.33) | — |
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-2023100061-A1 | 3-PHENYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS BRANCHED-CHAIN ALPHA KETO ACID DEHYDROGENASE KINASE INHIBITORS FOR THE TREATMENT OF DIABETES, KIDNEY DISEASES, NASH AND HEART FAILURE | PFIZER INC. (US) | 2023-06-08 | — | — | WO | disclosed |