⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2603677 | 1.00 | — | — | |
| SCHEMBL8224670 | 1.00 | — | — | |
| SCHEMBL4539270 | 0.88 | ACACB (0.36) | — | |
| SCHEMBL16782377 | 0.88 | ACACB (0.36) | — | |
| SCHEMBL2077091 | 0.86 | KAT2B (0.41) | — | |
| Glutarate SCHEMBL17873211 | 0.86 | PDE4D (0.36) | — | |
| SCHEMBL22072511 | 0.86 | EPHX1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL27781343 | 0.84 | KAT2B (0.40) | — | |
| SCHEMBL27769437 | 0.83 | PDE4D (0.33) | — | |
| Cyclopropane SCHEMBL5316733 | 0.83 | KAT2B (0.39) | — |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3290424-B1 | SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF | SHIONOGI & CO (JP) | 2023-01-04 | — | — | EP | disclosed |
| EP-3778584-A1 | PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES | ARIAD Pharmaceuticals, Inc. (US) | 2021-02-17 | — | — | EP | disclosed |
| US-20200361958-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF | SHIONOGI & CO., LTD. (JP) | 2020-11-19 | — | — | US | disclosed |
| EP-3409669-B1 | HETEROARYL COMPOUNDS FOR KINASE INHIBITION | ARIAD PHARMA INC (US) | 2020-10-07 | — | — | EP | disclosed |
| US-10759814-B2 | Pharmaceutical compositions containing substituted polycyclic pyridone derivatives and prodrug thereof | SHIONOGI & CO., LTD. (JP) | 2020-09-01 | — | — | US | disclosed |
| CN-110618208-A | Method for detecting content of (S) - (+) -3-hydroxytetrahydrofuran enantiomer | 威海迪素制药有限公司 | 2019-12-27 | — | — | CN | disclosed |
| US-20190169206-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF | SHIONOGI & CO., LTD. (JP) | 2019-06-06 | — | — | US | disclosed |
| US-20170327517-A1 | Boronic Acid Inhibitors of HIV Protease | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-11-16 | — | — | US | disclosed |
| US-9796712-B2 | Heteroaryl compounds for kinase inhibition | ARIAD PHARMACEUTICALS, INC. (US) | 2017-10-24 | — | — | US | disclosed |
| US-20170253594-A1 | HETEROARYL COMPOUNDS FOR KINASE INHIBITION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-09-07 | — | — | US | disclosed |
| US-20080293727-A1 | Novel sulfonamide inhibitors of aspartyl protease | TUNG ROGER D | 2008-11-27 | — | — | US | disclosed |
| US-20080293727-A1 | Novel sulfonamide inhibitors of aspartyl protease | TUNG ROGER D | 2008-11-27 | — | — | US | disclosed |
| US-20080269228-A1 | HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. | 2008-10-30 | — | — | US | disclosed |
| US-20080167288-A1 | Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases | LNCYTE CORPORATION (US) | 2008-07-10 | — | — | US | disclosed |
| US-7321063-B2 | Sulfonamide inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-22 | — | — | US | disclosed |
| US-7321063-B2 | Sulfonamide inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-22 | — | — | US | disclosed |
| WO-2008002924-A2 | QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-01-03 | — | — | WO | disclosed |
| US-20070179167-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | US | disclosed |
| WO-2005037826-A1 | SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES | INCYTE CORPORATION (US) | 2005-04-28 | — | — | WO | disclosed |
| WO-2003076413-A1 | BROADSPECTRUM SUBSTITUTED BENZIMIDAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS | TIBOTEC PHARMACEUTICALS LTD (IE) | 2003-09-18 | — | — | WO | disclosed |