⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20031517 | 1.00 | — | — | |
| SCHEMBL16242374 | 1.00 | — | — | |
| SCHEMBL22795640 | 1.00 | — | — | |
| SCHEMBL12350240 | 1.00 | — | — | |
| SCHEMBL12350249 | 1.00 | — | — | |
| SCHEMBL28591599 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2115208 | 0.97 | CCR5 (0.47) | — | |
| Hydrochloric Acid SCHEMBL14480091 | 0.97 | CCR5 (0.47) | — | |
| Hydrochloric Acid SCHEMBL2115209 | 0.97 | CCR5 (0.47) | — | |
| Hydrochloric Acid SCHEMBL2115207 | 0.97 | CCR5 (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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119019401-A | Compound, pharmaceutical composition and application thereof | 中国药科大学 | 2024-11-26 | — | — | CN | disclosed |
| US-11702392-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2023-07-18 | — | — | US | disclosed |
| WO-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |
| WO-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |
| CN-111788193-B | PD-1/PD-L1 small molecule inhibitor and application thereof in medicines | 广东东阳光药业有限公司 | 2023-04-04 | — | — | CN | disclosed |
| US-20230012073-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B | CADENT THERAPEUTICS, INC. (US) | 2023-01-12 | — | — | US | disclosed |
| US-11116749-B2 | Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B | CADENT THERAPEUTICS, INC (US) | 2021-09-14 | — | — | US | disclosed |
| US-20210179565-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2021-06-17 | — | — | US | disclosed |
| US-11001561-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2021-05-11 | — | — | US | disclosed |
| CN-111788193-A | PD-1/PD-L1 small molecule inhibitor and application thereof in medicines | 广东东阳光药业有限公司 | 2020-10-16 | — | — | CN | disclosed |
| WO-2015032286-A1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2015-03-12 | — | — | WO | disclosed |
| US-8507540-B2 | Oxazolidinone derivatives containing new bicyclic group, having antibacterial activity, and method for treating pathogenic bacterial infections using the same | KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2013-08-13 | — | — | US | disclosed |
| US-8507540-B2 | Oxazolidinone derivatives containing new bicyclic group, having antibacterial activity, and method for treating pathogenic bacterial infections using the same | KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2013-08-13 | — | — | US | disclosed |
| US-20130012554-A1 | OXAZOLIDINONE DERIVATIVES CONTAINING NEW BICYCLIC GROUP, HAVING ANTIBACTERIAL ACTIVITY, AND METHOD FOR TREATING PATHOGENIC BACTERIAL INFECTIONS USING THE SAME | KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2013-01-10 | — | — | US | disclosed |
| US-20130012554-A1 | OXAZOLIDINONE DERIVATIVES CONTAINING NEW BICYCLIC GROUP, HAVING ANTIBACTERIAL ACTIVITY, AND METHOD FOR TREATING PATHOGENIC BACTERIAL INFECTIONS USING THE SAME | KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2013-01-10 | — | — | US | disclosed |
| WO-2012041124-A1 | AZABICYCLO OCTANE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |
| WO-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |
| US-7164024-B2 | Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-01-16 | — | — | US | disclosed |
| US-20040147506-A1 | Benzimidazolone derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-07-29 | — | — | US | disclosed |
| EP-1386920-A1 | BENZIMIDAZOLONE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-02-04 | — | — | EP | disclosed |