⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4602878 | 0.83 | BCHE (0.30) | — | |
| SCHEMBL65488 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL17801685 | 0.79 | — | — | |
| Fluoride Ion SCHEMBL7591930 | 0.79 | — | — | |
| Iodomethane SCHEMBL10515569 | 0.76 | — | — | |
| Perchlorate SCHEMBL8715849 | 0.71 | — | — | |
| SCHEMBL9174215 | 0.69 | NPSR1 (0.35) | — | |
| SCHEMBL5708009 | 0.69 | — | — | |
| SCHEMBL4300333 | 0.69 | — | — | |
| SCHEMBL9260713 | 0.69 | — | — |
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-RE35177-E | N-fluoropyridinium salt and process for preparing same | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1996-03-12 | — | — | US | claimed |