⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28012016 | 0.92 | — | — | |
| Pyridine SCHEMBL9514761 | 0.88 | TSHR (0.90) | — | |
| Pyridine SCHEMBL29109706 | 0.88 | — | — | |
| Pyridine SCHEMBL9514765 | 0.88 | — | — | |
| Pyridine SCHEMBL97170 | 0.88 | — | — | |
| Pyridine SCHEMBL28181242 | 0.88 | TSHR (0.90) | — | |
| Pyridine SCHEMBL28721156 | 0.88 | TSHR (0.90) | — | |
| Pyridine SCHEMBL23093671 | 0.84 | TSHR (0.82) | — | |
| Pyridine SCHEMBL4074944 | 0.84 | TSHR (0.82) | — | |
| Pyridine SCHEMBL17966108 | 0.84 | TSHR (0.82) | — |
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-104495767-A | Preparation method of lithium bis(fluorosulfonyl)amide | HUNAN NONFERROUS CHENZHOU FLUORDE CHEMICAL CO LTD | 2015-04-08 | — | — | CN | disclosed |