⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28146512 | 0.78 | — | — | |
| SCHEMBL28164902 | 0.70 | — | — | |
| SCHEMBL10564231 | 0.69 | — | — | |
| SCHEMBL3773355 | 0.69 | — | — | |
| SCHEMBL6501187 | 0.67 | — | — | |
| SCHEMBL9676846 | 0.66 | CYP11B1 (0.53) | — | |
| SCHEMBL28205585 | 0.63 | — | — | |
| SCHEMBL7042252 | 0.63 | — | — | |
| SCHEMBL352774 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL6869464 | 0.60 | RECQL (0.39) | — |
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-105622597-B | A kind of chloro isothiazole anabasine compound and its preparation method and application | 南开大学 | 2018-08-17 | — | — | CN | disclosed |