⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL563796 | 0.71 | — | — | |
| SCHEMBL24453092 | 0.71 | — | — | |
| SCHEMBL5035574 | 0.63 | MTNR1A (0.41) | — | |
| Hydrochloric Acid SCHEMBL21570235 | 0.60 | — | — | |
| SCHEMBL8923843 | 0.59 | — | — | |
| SCHEMBL611846 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL27706 | 0.56 | — | — | |
| Ammonia Solution, Strong SCHEMBL28223659 | 0.56 | — | — | |
| SCHEMBL571028 | 0.55 | — | — | |
| SCHEMBL819965 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108997319-A | Thiocarbamoyl imidazole alkanone derivative and its synthetic method and application | 江苏师范大学 | 2018-12-14 | — | — | CN | disclosed |
| CN-108864109-A | Synthesis method and application of amino-containing troger base derivative and binaphthol-troger base amine Schiff base derivative | 江苏师范大学 | 2018-11-23 | — | — | CN | disclosed |