⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28463462 | 0.81 | TAAR1 (0.31) | — | |
| SCHEMBL6830550 | 0.75 | — | — | |
| SCHEMBL15285323 | 0.75 | — | — | |
| SCHEMBL27838 | 0.75 | — | — | |
| SCHEMBL1387264 | 0.75 | TP53 (0.35) | — | |
| Magnesium Chloride Anhydrous SCHEMBL27395572 | 0.75 | ACHE (0.50) | — | |
| SCHEMBL95809 | 0.73 | LTA4H (0.57) | — | |
| SCHEMBL27583381 | 0.73 | ACHE (0.54) | — | |
| Hydrochloric Acid SCHEMBL28516238 | 0.73 | ACHE (0.54) | — | |
| SCHEMBL27592616 | 0.73 | ACHE (0.54) | — |
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-107698493-A | A kind of preparation method of the piperidones of N Boc 3 | 上海皓伯化工科技有限公司 | 2018-02-16 | — | — | CN | claimed |
| CN-107698493-A | A kind of preparation method of the piperidones of N Boc 3 | 上海皓伯化工科技有限公司 | 2018-02-16 | — | — | CN | disclosed |