⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14741118 | 1.00 | — | — | |
| SCHEMBL14741119 | 1.00 | — | — | |
| SCHEMBL17104752 | 0.85 | — | — | |
| SCHEMBL4624675 | 0.75 | — | — | |
| SCHEMBL2540823 | 0.72 | — | — | |
| SCHEMBL16599523 | 0.67 | PNMT (0.32) | — | |
| SCHEMBL853177 | 0.67 | CCR5 (0.33) | — | |
| SCHEMBL24964881 | 0.66 | CCR5 (0.32) | — | |
| SCHEMBL1086156 | 0.65 | — | — | |
| SCHEMBL580525 | 0.65 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | disclosed |
| EP-2007733-B1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | MSD ITALIA SRL (IT) | 2016-05-25 | — | — | EP | disclosed |
| WO-2016039939-A1 | BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | disclosed |
| WO-2016039936-A2 | MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | disclosed |
| WO-2016025933-A2 | SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-02-18 | — | — | WO | disclosed |
| WO-2016025932-A1 | SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-02-18 | — | — | WO | disclosed |
| EP-2178375-B1 | PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES | MERCK SHARP & DOHME (US) | 2014-09-24 | — | — | EP | disclosed |
| US-8461162-B2 | Pyrazolo[1,5-a]pyrimidine derivatives | MERCK SHARP & DOHME CORP. (US) | 2013-06-11 | — | — | US | disclosed |
| US-20110201657-A1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-08-18 | — | — | US | disclosed |
| US-20100305091-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES | MERCK SHARP & DOHME LLC | 2010-12-02 | — | — | US | disclosed |
| EP-2178375-A1 | PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES | Merck Sharp & Dohme Corp. (US) | 2010-04-28 | — | — | EP | disclosed |
| US-20090275619-A1 | Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-11-05 | — | — | US | disclosed |
| US-20090124600-A1 | N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists | MERCK SHARP & DOHME CORP. | 2009-05-14 | — | — | US | disclosed |
| WO-2009014620-A1 | PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES | MERCK & CO., INC. (US) | 2009-01-29 | — | — | WO | disclosed |
| EP-2007733-A1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2008-12-31 | — | — | EP | disclosed |
| EP-1874318-A2 | N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2007113596-A1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-10-11 | — | — | WO | disclosed |
| WO-2006113471-A2 | N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-10-26 | — | — | WO | disclosed |