⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3512280 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL8220484 | 0.82 | — | — | |
| SCHEMBL957256 | 0.80 | — | — | |
| SCHEMBL1562219 | 0.78 | — | — | |
| SCHEMBL1495274 | 0.78 | — | — | |
| SCHEMBL4960318 | 0.78 | NFKB1 (0.42) | — | |
| Bicarbonate SCHEMBL28941663 | 0.77 | CAMK2A (0.38) | — | |
| SCHEMBL252825 | 0.76 | EPHX1 (0.45) | — | |
| SCHEMBL25227641 | 0.75 | GAA (0.44) | — | |
| SCHEMBL8516233 | 0.75 | EPHX1 (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590985-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004400-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2012-01-12 | — | — | WO | disclosed |