⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22155240 | 0.70 | — | — | |
| SCHEMBL25926779 | 0.65 | — | — | |
| SCHEMBL22148457 | 0.65 | PER2 (0.31) | — | |
| SCHEMBL79194 | 0.56 | — | — | |
| Fluoride SCHEMBL28867502 | 0.56 | MGLL (0.42) | — | |
| Bicarbonate SCHEMBL11609855 | 0.53 | HSD17B10 (0.44) | — | |
| SCHEMBL256779 | 0.52 | — | — | |
| SCHEMBL24190894 | 0.50 | — | — | |
| SCHEMBL2123718 | 0.50 | CA12 (0.45) | — | |
| SCHEMBL622038 | 0.50 | — | — |
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-20220056015-A1 | KIF18A INHIBITORS | AMGEN INC. (US) | 2022-02-24 | — | — | US | disclosed |