⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2372820 | 0.85 | PTGS2 (0.31) | — | |
| SCHEMBL12296769 | 0.82 | KCNN4 (0.34) | — | |
| SCHEMBL409942 | 0.78 | SLC6A7 (0.33) | — | |
| SCHEMBL2373539 | 0.74 | RBP4 (0.37) | — | |
| SCHEMBL442604 | 0.73 | P2RX7 (0.31) | — | |
| SCHEMBL12296764 | 0.72 | RORC (0.36) | — | |
| SCHEMBL2373555 | 0.70 | KCNN4 (0.34) | — | |
| SCHEMBL12321850 | 0.70 | — | — | |
| SCHEMBL410453 | 0.64 | CA12 (0.39) | — | |
| SCHEMBL410925 | 0.64 | TACR1 (0.34) | — |
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-2011117152-A1 | PYRIDOTHIAZINES HAVING HERBICIDAL ACTION | BASF SE (DE) | 2011-09-29 | — | — | WO | disclosed |