⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7875657 | 0.78 | — | — | |
| SCHEMBL797967 | 0.72 | CYP4F2 (0.31) | — | |
| SCHEMBL10120677 | 0.70 | — | — | |
| SCHEMBL6873602 | 0.70 | — | — | |
| SCHEMBL6873474 | 0.69 | — | — | |
| SCHEMBL23745383 | 0.69 | — | — | |
| SCHEMBL15133564 | 0.69 | — | — | |
| SCHEMBL4126953 | 0.69 | — | — | |
| SCHEMBL17057918 | 0.69 | — | — | |
| SCHEMBL2206428 | 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-20140349994-A1 | Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors | ADDEX PHARMA S.A. (CH) | 2014-11-27 | — | — | US | disclosed |