⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3526133 | 0.77 | — | — | |
| SCHEMBL28289924 | 0.68 | — | — | |
| SCHEMBL24267343 | 0.67 | — | — | |
| SCHEMBL18435238 | 0.67 | — | — | |
| SCHEMBL27925027 | 0.67 | — | — | |
| SCHEMBL27533247 | 0.67 | — | — | |
| SCHEMBL980593 | 0.67 | — | — | |
| SCHEMBL28272287 | 0.66 | ADH1B (0.43) | — | |
| SCHEMBL983031 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28147292 | 0.65 | ADH1B (0.41) | — |
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-108024992-A | Aryl, Heteroaryl and Heterocyclic Compounds for the Treatment of Medical Disorders | 艾其林医药公司 | 2018-05-11 | — | — | CN | disclosed |