⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9936794 | 0.69 | — | — | |
| SCHEMBL30056390 | 0.69 | PARP1 (0.56) | — | |
| SCHEMBL1698316 | 0.69 | PARP1 (0.56) | — | |
| SCHEMBL2909240 | 0.68 | PARP1 (0.58) | — | |
| SCHEMBL10348246 | 0.68 | PARP1 (0.54) | — | |
| SCHEMBL6259695 | 0.67 | PARP1 (0.60) | — | |
| SCHEMBL407274 | 0.67 | — | — | |
| SCHEMBL28426882 | 0.67 | CCNA2 (0.32) | — | |
| SCHEMBL3113832 | 0.67 | MAPT (0.40) | — | |
| SCHEMBL7062953 | 0.67 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2623101-B1 | Piperidine and piperazine derivatives as autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2021-04-21 | — | — | EP | claimed |
| EP-2414346-B1 | AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2015-06-24 | — | — | EP | claimed |
| EP-2623101-A1 | Piperidine and piperazine derivatives as autotaxin inhibitors | Merck Patent GmbH (DE) | 2013-08-07 | — | — | EP | claimed |
| US-8329907-B2 | Autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2012-12-11 | — | — | US | claimed |
| US-20090062294-A1 | HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE | JANSSEN PHARMACEUTICA NV (BE) | 2009-03-05 | — | — | US | claimed |
| EP-2623101-B1 | Piperidine and piperazine derivatives as autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2021-04-21 | — | — | EP | disclosed |
| US-9452997-B2 | Piperidine and piperazine derivatives as autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2016-09-27 | — | — | US | disclosed |
| EP-2414346-B1 | AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2015-06-24 | — | — | EP | 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 |
| EP-2626072-A1 | Piperidine and piperazine derivatives as autotaxin inhibitors | Merck Patent GmbH (DE) | 2013-08-14 | — | — | EP | disclosed |
| EP-2623491-A2 | Piperidine and piperazine derivatives as autotaxin inhibitors | Merck Patent GmbH (DE) | 2013-08-07 | — | — | EP | disclosed |
| US-8377983-B2 | Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors | TRANSTECH PHARMA, INC. (US) | 2013-02-19 | — | — | 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-7820821-B2 | Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors | TRANSTECH PHARMA, INC. (US) | 2010-10-26 | — | — | US | disclosed |
| US-20100152170-A1 | Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors | TRANSTECH PHARMA, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| US-20090062294-A1 | HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE | JANSSEN PHARMACEUTICA NV (BE) | 2009-03-05 | — | — | US | disclosed |
| US-20070219235-A1 | Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors | VTVX HOLDINGS I LLC | 2007-09-20 | — | — | US | disclosed |
| WO-2002028353-A2 | PHOSPHATE TRANSPORT INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-04-11 | — | — | WO | disclosed |