⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15846869 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28167444 | 0.98 | KCNH2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL2148201 | 0.98 | KCNH2 (0.34) | — | |
| Acetic Acid SCHEMBL27615130 | 0.88 | SLC6A1 (0.36) | — | |
| SCHEMBL17125765 | 0.81 | — | — | |
| SCHEMBL4369331 | 0.81 | — | — | |
| SCHEMBL17125801 | 0.81 | — | — | |
| SCHEMBL17125764 | 0.81 | — | — | |
| SCHEMBL17132888 | 0.81 | — | — | |
| SCHEMBL16015719 | 0.79 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160122354-A1 | PROCESS FOR THE PREPARATION OF (3R,4R)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL-AMINO)-ß-OXO-1-PIPERIDINEPROPANENITRILE AND ITS SALTS | THIRUMALAI RAJAN SRINIVASAN (IN) | 2016-05-05 | — | — | US | disclosed |
| US-20160122354-A1 | PROCESS FOR THE PREPARATION OF (3R,4R)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL-AMINO)-ß-OXO-1-PIPERIDINEPROPANENITRILE AND ITS SALTS | THIRUMALAI RAJAN SRINIVASAN (IN) | 2016-05-05 | — | — | US | disclosed |
| US-20160122354-A1 | PROCESS FOR THE PREPARATION OF (3R,4R)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL-AMINO)-ß-OXO-1-PIPERIDINEPROPANENITRILE AND ITS SALTS | THIRUMALAI RAJAN SRINIVASAN (IN) | 2016-05-05 | — | — | US | disclosed |
| WO-2014102826-A1 | THE PRESENT INVENTION RELATES TO PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF. | GLENMARK PHARMACEUTICALS LIMITED; (IN) | 2014-07-03 | — | — | WO | disclosed |
| CN-103896826-A | Asymmetric synthesis method of nitrogen protected (3R,4R)-3-methylamino-4-methylpiperidine, and relevant intermediate and raw material preparation method | SHANGHAI PUYI CHEMICAL CO LTD | 2014-07-02 | — | — | CN | disclosed |
| US-20110165183-A1 | PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2011-07-07 | — | — | US | disclosed |
| US-20110165183-A1 | PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2011-07-07 | — | — | US | 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 |
| WO-2010014930-A2 | THERAPEUTIC AGENTS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2010-02-04 | — | — | WO | disclosed |