⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8947038 | 0.88 | — | — | |
| SCHEMBL8947043 | 0.88 | — | — | |
| SCHEMBL27416172 | 0.87 | — | — | |
| SCHEMBL8625018 | 0.87 | — | — | |
| SCHEMBL8625014 | 0.87 | — | — | |
| SCHEMBL27396323 | 0.84 | — | — | |
| SCHEMBL8621189 | 0.84 | ANPEP (0.40) | — | |
| SCHEMBL8621107 | 0.84 | ANPEP (0.40) | — | |
| SCHEMBL8621102 | 0.84 | ANPEP (0.40) | — | |
| SCHEMBL27416174 | 0.83 | ANPEP (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 |
|---|---|---|---|---|---|---|---|
| CN-1089614-A | Alpha-phosphonosulfonate squalene synthetase inhibitors and method | SQUIBB & SONS INC (US) | 1994-07-20 | — | — | CN | claimed |