⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17591768 | 0.76 | — | — | |
| SCHEMBL417091 | 0.76 | — | — | |
| SCHEMBL5429342 | 0.76 | — | — | |
| SCHEMBL13403147 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL13654262 | 0.71 | — | — | |
| SCHEMBL6675935 | 0.71 | — | — | |
| SCHEMBL12738142 | 0.71 | — | — | |
| SCHEMBL10266692 | 0.71 | — | — | |
| SCHEMBL358401 | 0.70 | — | — | |
| SCHEMBL2999621 | 0.69 | EGFR (0.47) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9452997-B2 | Piperidine and piperazine derivatives as autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2016-09-27 | — | — | US | disclosed |
| US-9452997-B2 | Piperidine and piperazine derivatives as autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2016-09-27 | — | — | US | disclosed |
| US-9012463-B2 | Inhibitors of bruton's tyrosine kinase | PHARMACYCLICS, INC. (US) | 2015-04-21 | — | — | US | disclosed |
| US-20140343075-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2014-11-20 | — | — | US | disclosed |
| US-20140343075-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2014-11-20 | — | — | US | disclosed |
| US-8822476-B2 | Piperidine and piperazine derivatives as autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2014-09-02 | — | — | US | disclosed |
| US-8822476-B2 | Piperidine and piperazine derivatives as autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2014-09-02 | — | — | US | disclosed |
| US-20140080844-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS, INC. (US) | 2014-03-20 | — | — | US | disclosed |
| US-8497283-B2 | Autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2013-07-30 | — | — | US | disclosed |
| US-20130023556-A1 | AUTOTAXIN INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-01-24 | — | — | US | disclosed |
| US-8329907-B2 | Autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2012-12-11 | — | — | US | disclosed |
| US-8329907-B2 | Autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2012-12-11 | — | — | US | disclosed |
| US-20120282219-A1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-08 | — | — | US | disclosed |
| US-20120059016-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-03-08 | — | — | US | disclosed |
| US-20120059016-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-03-08 | — | — | US | disclosed |
| US-20120015976-A1 | AUTOTAXIN INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) | 2012-01-19 | — | — | US | disclosed |
| US-20120015976-A1 | AUTOTAXIN INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) | 2012-01-19 | — | — | US | disclosed |
| EP-1833836-B1 | IMIDAZO-FUSED THIAZOLO [4,5-B] PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL MYERS SQUIBB CO (US) | 2011-12-21 | — | — | EP | disclosed |
| US-20110086866-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS, INC. (US) | 2011-04-14 | — | — | US | disclosed |
| US-7456194-B2 | Imidazo-fused oxazolo [4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-25 | — | — | US | disclosed |