⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28349514 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28015279 | 0.98 | — | — | |
| SCHEMBL23268688 | 0.76 | — | — | |
| SCHEMBL13494290 | 0.75 | — | — | |
| SCHEMBL3409515 | 0.74 | — | — | |
| SCHEMBL3407578 | 0.74 | — | — | |
| SCHEMBL3407581 | 0.74 | — | — | |
| SCHEMBL22731031 | 0.72 | — | — | |
| SCHEMBL20683938 | 0.72 | — | — | |
| SCHEMBL21307321 | 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113614069-B | Process for preparing (3R, 4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2024-05-28 | — | — | CN | claimed |
| CN-114807071-B | Enzymatic preparation method of tofacitinib key intermediate | 中国科学院天津工业生物技术研究所 | 2023-10-20 | — | — | CN | claimed |
| CN-113930404-B | Method for synthesizing chiral tofacitinib citrate intermediate by enzymatic method | 浙江乐普药业股份有限公司 | 2023-10-13 | — | — | CN | claimed |
| CN-115808472-A | Method for analyzing and detecting impurity BMPA-3 in R-BMPA | 江苏万邦生化医药集团有限责任公司 | 2023-03-17 | — | — | CN | claimed |
| CN-114807071-A | Enzymatic preparation method of tofacitinib key intermediate | 中国科学院天津工业生物技术研究所 | 2022-07-29 | — | — | CN | claimed |
| CN-114685515-A | Preparation method of tofacitinib | 上海蓝乐鸟实业有限公司 | 2022-07-01 | — | — | CN | claimed |
| CN-113125587-B | Tofacitinib intermediate and detection method of enantiomer thereof | 成都百裕制药股份有限公司 | 2022-05-24 | — | — | CN | claimed |
| CN-113930404-A | Method for synthesizing chiral tofacitinib citrate intermediate by enzyme method | 浙江乐普药业股份有限公司 | 2022-01-14 | — | — | CN | claimed |
| CN-113614069-A | Process for preparing (3R,4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2021-11-05 | — | — | CN | claimed |
| CN-113125587-A | Tofacitinib intermediate and detection method of enantiomer thereof | 成都百裕制药股份有限公司 | 2021-07-16 | — | — | CN | claimed |
| CN-112641773-A | Composition containing heterocyclic compound and use thereof | 黄泳华 | 2021-04-13 | — | — | CN | claimed |
| CN-108997199-B | Synthesis method of tofacitinib intermediate (3R,4R) -1-benzyl-N, 4-dimethylpiperidine-3-amine | 山东罗欣药业集团恒欣药业有限公司 | 2020-09-08 | — | — | CN | claimed |
| CN-111588724-A | Use of pyrrolopyrimidine derivatives in the treatment of Janus kinase mediated diseases | 黄泳华 | 2020-08-28 | — | — | CN | claimed |
| CN-111265668-A | Composition comprising a histamine release-promoting substance and an inhibitory compound | 黄泳华 | 2020-06-12 | — | — | CN | claimed |
| CN-111202736-A | Compositions containing a mixture of pyrrolopyrimidine derivatives and uses thereof | 黄泳华 | 2020-05-29 | — | — | CN | claimed |
| CN-110668995-A | Tofacitinib citrate intermediate and preparation method of tofacitinib citrate | 江苏海悦康医药科技有限公司 | 2020-01-10 | — | — | CN | claimed |
| CN-113614069-B | Process for preparing (3R, 4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2024-05-28 | — | — | CN | disclosed |
| CN-113614069-B | Process for preparing (3R, 4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2024-05-28 | — | — | CN | disclosed |
| EP-2324020-A2 | PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010014930-A2 | THERAPEUTIC AGENTS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2010-02-04 | — | — | WO | disclosed |