⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16504147 | 0.82 | PGK1 (0.36) | — | |
| SCHEMBL1419790 | 0.78 | — | — | |
| SCHEMBL2444202 | 0.76 | NR1H2 (0.31) | — | |
| SCHEMBL17134187 | 0.76 | — | — | |
| SCHEMBL17583208 | 0.75 | KIF11 (0.46) | — | |
| SCHEMBL507483 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL240529 | 0.75 | — | — | |
| SCHEMBL17133881 | 0.74 | — | — | |
| SCHEMBL25399286 | 0.74 | PTPN1 (0.32) | — | |
| SCHEMBL17583204 | 0.73 | KCNN4 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6232320-B1 | THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES | ABBOTT LABORATORIES | 2001-05-15 | — | — | US | claimed |