⚠ 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 | |
|---|---|---|---|---|
| Cycloheptane SCHEMBL28833396 | 1.00 | — | — | |
| Cyclohexane SCHEMBL9151609 | 1.00 | — | — | |
| Cyclohexane SCHEMBL3212439 | 0.77 | TSHR (0.57) | — | |
| Cyclohexane SCHEMBL21694131 | 0.77 | TSHR (0.30) | — | |
| Cyclopentane SCHEMBL4362717 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL23668123 | 0.77 | — | — | |
| Ethane SCHEMBL9395318 | 0.73 | — | — | |
| Cyclopentane SCHEMBL12475482 | 0.73 | — | — | |
| Cyclohexane SCHEMBL12475590 | 0.73 | — | — | |
| Cyclooctane SCHEMBL8564806 | 0.73 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107021978-B | A kind of methylnaltrexone bromide and its new preparation method of intermediate | 重庆朗天制药有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-107021978-A | A kind of new preparation method of methylnaltrexone bromide and its intermediate | 重庆朗天制药有限公司 | 2017-08-08 | — | — | CN | disclosed |
| US-8420666-B2 | Pyrazolo (3, 4-B) pyridine derivatives as phosphodiesterase inhibitors | RANBAXY LABORATORIES LIMITED (IN) | 2013-04-16 | — | — | US | disclosed |
| EP-2124944-B1 | Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors | RANBAXY LAB LTD (IN) | 2012-02-15 | — | — | EP | disclosed |
| US-20100292196-A1 | PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2010-11-18 | — | — | US | disclosed |
| EP-2124944-A1 | PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | Ranbaxy Laboratories Limited (IN) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008111010-A1 | PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2008-09-18 | — | — | WO | disclosed |
| CN-1152015-C | Piperazine devivatives and process for preparation thereof | ������ҩ��ʽ���� | 2004-06-02 | — | — | CN | disclosed |
| CN-1196724-A | Novel piperazine derivative and process for producing the same | SAMJIN PHARM CO LTD (KR) | 1998-10-21 | — | — | CN | disclosed |
| EP-0102034-B1 | SPIRO(2H-1,4-BENZODIOXEPIN-3(5H)4'-PIPERIDINE AND 3'-PYRROLIDINO) COMPOUNDS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-04-20 | — | — | EP | disclosed |
| US-4521537-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1985-06-04 | — | — | US | disclosed |