⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5144911 | 1.00 | — | — | |
| Glycerin SCHEMBL28546240 | 0.82 | ALDH1A1 (0.56) | — | |
| SCHEMBL10338669 | 0.78 | TSHR (0.40) | — | |
| Glycerin SCHEMBL28160843 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL27604442 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL9491337 | 0.76 | — | — | |
| SCHEMBL2938167 | 0.76 | — | — | |
| SCHEMBL28073392 | 0.76 | — | — | |
| SCHEMBL6860794 | 0.76 | — | — | |
| SCHEMBL28073393 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105801518-B | A kind of synthetic method of (S) -1-Boc-3- hydroxy piperidine | 重庆博腾制药科技股份有限公司 | 2018-11-27 | — | — | CN | claimed |
| CN-105801518-A | (S)-1-Boc-3-hydroxypiperidine synthesis method | 重庆博腾制药科技股份有限公司 | 2016-07-27 | — | — | CN | claimed |
| CN-105801518-B | A kind of synthetic method of (S) -1-Boc-3- hydroxy piperidine | 重庆博腾制药科技股份有限公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-105801518-A | (S)-1-Boc-3-hydroxypiperidine synthesis method | 重庆博腾制药科技股份有限公司 | 2016-07-27 | — | — | CN | disclosed |