⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7480286 | 0.55 | PARP1 (0.36) | — | |
| SCHEMBL11387832 | 0.52 | — | — | |
| SCHEMBL11387834 | 0.52 | — | — | |
| SCHEMBL9285519 | 0.51 | HPGD (0.36) | — | |
| SCHEMBL7189551 | 0.45 | CA1 (0.32) | — | |
| SCHEMBL18617700 | 0.43 | APOBEC3G (0.33) | — | |
| SCHEMBL8121952 | 0.43 | — | — | |
| SCHEMBL3428173 | 0.42 | CYP3A4 (0.39) | — | |
| SCHEMBL29289204 | 0.42 | AKR1B1 (0.44) | — | |
| SCHEMBL28022926 | 0.42 | CYP3A4 (0.39) | — |
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 |