⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29599022 | 0.69 | TSHR (0.61) | — | |
| SCHEMBL5741106 | 0.69 | TSHR (0.61) | — | |
| SCHEMBL2970124 | 0.67 | — | — | |
| SCHEMBL25978623 | 0.67 | — | — | |
| SCHEMBL27550791 | 0.66 | — | — | |
| SCHEMBL18833102 | 0.65 | — | — | |
| SCHEMBL255150 | 0.65 | — | — | |
| Dimethyl Succinate SCHEMBL28054469 | 0.65 | TSHR (1.00) | — | |
| Dimethyl Succinate SCHEMBL10213 | 0.65 | TSHR (1.00) | — | |
| SCHEMBL22367663 | 0.64 | — | — |
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-116075302-A | Combinations of GABAA α5 agonists and SV2A inhibitors and methods of use in the treatment of cognitive impairment | 艾吉因生物股份有限公司 | 2023-05-05 | — | — | CN | disclosed |