⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL589190 | 1.00 | — | — | |
| SCHEMBL28482554 | 1.00 | — | — | |
| SCHEMBL11787617 | 0.95 | ALDH1A1 (0.46) | — | |
| SCHEMBL2898806 | 0.92 | — | — | |
| SCHEMBL11281379 | 0.89 | ALDH1A1 (0.58) | — | |
| SCHEMBL30244821 | 0.89 | ALDH1A1 (0.58) | — | |
| SCHEMBL14567365 | 0.89 | ALDH1A1 (0.58) | — | |
| SCHEMBL31497247 | 0.89 | ALDH1A1 (0.58) | — | |
| SCHEMBL2064703 | 0.81 | — | — | |
| SCHEMBL315580 | 0.81 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111978242-B | Preparation method and application of (R) -3-aminopiperidine dihydrochloride | 上海科利生物医药有限公司 | 2023-09-26 | — | — | CN | claimed |
| CN-110759853-B | Preparation method of (S) -N-BOC-3-hydroxy piperidine | 上海科利生物医药有限公司 | 2023-06-13 | — | — | CN | claimed |
| CN-111978242-A | Preparation method and application of (R) -3-aminopiperidine dihydrochloride | 上海科利生物医药有限公司 | 2020-11-24 | — | — | CN | claimed |
| CN-110759853-A | Preparation method of (S) -N-BOC-3-hydroxypiperidine | 上海科利生物医药有限公司 | 2020-02-07 | — | — | CN | claimed |
| CN-111925345-B | Preparation method of chiral 2-aminomethyltetrahydrofuran | 上海科利生物医药有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-111978242-B | Preparation method and application of (R) -3-aminopiperidine dihydrochloride | 上海科利生物医药有限公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-111978242-B | Preparation method and application of (R) -3-aminopiperidine dihydrochloride | 上海科利生物医药有限公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-110759853-B | Preparation method of (S) -N-BOC-3-hydroxy piperidine | 上海科利生物医药有限公司 | 2023-06-13 | — | — | CN | disclosed |
| CN-110759853-B | Preparation method of (S) -N-BOC-3-hydroxy piperidine | 上海科利生物医药有限公司 | 2023-06-13 | — | — | CN | disclosed |
| CN-111978242-A | Preparation method and application of (R) -3-aminopiperidine dihydrochloride | 上海科利生物医药有限公司 | 2020-11-24 | — | — | CN | disclosed |
| CN-111978242-A | Preparation method and application of (R) -3-aminopiperidine dihydrochloride | 上海科利生物医药有限公司 | 2020-11-24 | — | — | CN | disclosed |
| CN-111925345-A | Preparation method of chiral 2-aminomethyl tetrahydrofuran | 上海科利生物医药有限公司 | 2020-11-13 | — | — | CN | disclosed |
| CN-110759853-A | Preparation method of (S) -N-BOC-3-hydroxypiperidine | 上海科利生物医药有限公司 | 2020-02-07 | — | — | CN | disclosed |