⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL833121 | 0.67 | — | — | |
| SCHEMBL25352284 | 0.67 | — | — | |
| SCHEMBL1667413 | 0.67 | — | — | |
| SCHEMBL2955235 | 0.67 | — | — | |
| SCHEMBL11544898 | 0.64 | — | — | |
| SCHEMBL30927993 | 0.64 | — | — | |
| SCHEMBL7511362 | 0.63 | FFAR3 (0.31) | — | |
| SCHEMBL7325933 | 0.62 | — | — | |
| SCHEMBL5661718 | 0.62 | PKM (0.30) | — | |
| SCHEMBL31277123 | 0.62 | — | — |
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-20120190855-A1 | Method and Substances for the Preparation of N-Substituted Pyridinium Compounds | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2012-07-26 | — | — | US | claimed |