⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5807215 | 0.75 | LIPE (0.33) | — | |
| SCHEMBL28153628 | 0.75 | NPC1 (0.45) | — | |
| SCHEMBL27543652 | 0.74 | — | — | |
| SCHEMBL28171513 | 0.74 | CA12 (0.47) | — | |
| SCHEMBL25352240 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL3635077 | 0.72 | — | — | |
| SCHEMBL20803508 | 0.72 | — | — | |
| SCHEMBL20803611 | 0.72 | — | — | |
| SCHEMBL2263812 | 0.72 | — | — | |
| SCHEMBL6056848 | 0.72 | — | — |
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 |