⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL352810 | 0.84 | CYP2D6 (0.33) | — | |
| SCHEMBL1852320 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL20703483 | 0.76 | CHRNB2 (0.50) | — | |
| SCHEMBL350964 | 0.76 | — | — | |
| SCHEMBL28151040 | 0.75 | CYP17A1 (0.30) | — | |
| SCHEMBL28302244 | 0.73 | CHUK (0.36) | — | |
| SCHEMBL6544274 | 0.71 | — | — | |
| SCHEMBL6543939 | 0.71 | — | — | |
| SCHEMBL6544881 | 0.68 | KMT2A (0.35) | — | |
| SCHEMBL427568 | 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111556871-B | 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors | H.隆德贝克有限公司 | 2023-07-07 | — | — | CN | disclosed |
| US-11174253-B2 | Compound and pharmaceutical composition containing the same | ALPHALA CO., LTD. (TW) | 2021-11-16 | — | — | US | disclosed |
| US-20200172531-A1 | Novel compound and pharmaceutical composition containing the same | ALPHALA CO., LTD. (TW) | 2020-06-04 | — | — | US | disclosed |
| EP-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |
| WO-2019028104-A1 | NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | ALPHALA CO., LTD. (TW) | 2019-02-07 | — | — | WO | disclosed |
| US-9493446-B2 | Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2016-11-15 | — | — | US | disclosed |
| US-20150252032-A1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2015-09-10 | — | — | US | disclosed |
| EP-2906553-A1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2015-08-19 | — | — | EP | disclosed |
| WO-2014121036-A1 | 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | DEUTERX, LLC (US) | 2014-08-07 | — | — | WO | disclosed |
| US-20140221369-A1 | 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | DEUTERX, LLC (US) | 2014-08-07 | — | — | US | disclosed |
| CN-1512992-A | Novel adenine derivatives | ס����ҩ��ʽ���� | 2004-07-14 | — | — | CN | disclosed |
| US-20040132748-A1 | Novel adenne derivatives | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2004-07-08 | — | — | US | disclosed |
| EP-1022272-B1 | SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS | SANKYO CO (JP) | 2004-05-26 | — | — | EP | disclosed |
| EP-1386923-A1 | NOVEL ADENINE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2004-02-04 | — | — | EP | disclosed |
| US-6432993-B1 | BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS | SANKYO COMPANY, LIMITED (JP) | 2002-08-13 | — | — | US | disclosed |
| EP-1022272-A1 | SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS | Sankyo Company Limited (JP) | 2000-07-26 | — | — | EP | disclosed |
| US-5132307-A | TETRALIN COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-21 | — | — | US | disclosed |
| EP-0368160-A1 | Tetralin derivatives | MERCK PATENT GmbH (DE) | 1990-05-16 | — | — | EP | disclosed |
| EP-0363883-A1 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1990-04-18 | — | — | EP | disclosed |
| EP-0154190-A1 | Pyridones | MERCK PATENT GmbH (DE) | 1985-09-11 | — | — | EP | disclosed |