⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6440087 | 1.00 | — | — | |
| SCHEMBL2845437 | 0.84 | CYP1A2 (0.42) | — | |
| SCHEMBL12993916 | 0.84 | CYP1A2 (0.42) | — | |
| SCHEMBL2663971 | 0.82 | — | — | |
| SCHEMBL4817247 | 0.79 | NFKB1 (0.33) | — | |
| SCHEMBL2663978 | 0.78 | — | — | |
| SCHEMBL2663967 | 0.74 | NFKB1 (0.30) | — | |
| SCHEMBL2663986 | 0.74 | NFKB1 (0.37) | — | |
| SCHEMBL16599634 | 0.73 | NLRP3 (0.32) | — | |
| SCHEMBL16599631 | 0.73 | NLRP3 (0.32) | — |
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-20070099930-A1 | Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-03 | — | — | US | disclosed |