⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8897078 | 0.69 | — | — | |
| SCHEMBL7480286 | 0.59 | PARP1 (0.36) | — | |
| SCHEMBL8894095 | 0.59 | F13A1 (0.32) | — | |
| SCHEMBL4602159 | 0.54 | HTT (0.32) | — | |
| SCHEMBL4604524 | 0.52 | CAPN1 (0.32) | — | |
| SCHEMBL4641826 | 0.46 | — | — | |
| SCHEMBL4801599 | 0.46 | — | — | |
| SCHEMBL4630012 | 0.46 | — | — | |
| SCHEMBL291625 | 0.46 | — | — | |
| SCHEMBL16828929 | 0.46 | — | — |
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-5677302-A | Thiadiazole compounds useful as proton pump inhibitors | APOTEX INC. (CA) | 1997-10-14 | — | — | US | disclosed |