⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2840053 | 0.97 | — | — | |
| SCHEMBL4426627 | 0.87 | PIK3CD (0.44) | — | |
| SCHEMBL8174442 | 0.82 | HSP90AA1 (0.59) | — | |
| SCHEMBL4729780 | 0.80 | PIK3CD (0.69) | — | |
| SCHEMBL4434207 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL21186393 | 0.75 | MAOA (0.57) | — | |
| SCHEMBL1662273 | 0.71 | PIK3CD (0.73) | — | |
| SCHEMBL17800 | 0.71 | — | — | |
| SCHEMBL1069905 | 0.71 | CA12 (0.46) | — | |
| SCHEMBL29374702 | 0.71 | CA12 (0.46) | — |
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
Appears in 3091 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119613279-A | N-substituted benzene ring bioisostere and preparation method thereof | 上海交通大学 | 2025-03-14 | — | — | CN | claimed |
| CN-117924347-A | Preparation method of monosulfur organosilane coupling agent | 江西宏柏新材料股份有限公司 | 2024-04-26 | — | — | CN | claimed |
| CN-116675638-A | Chemical synthesis method of 6-chloro-N-methylpyridine-3-amine | 皖西学院 | 2023-09-01 | — | — | CN | claimed |
| CN-112898198-B | Nitrogen-containing aromatic heterocyclic nitro compound and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2023-04-07 | — | — | CN | claimed |
| CN-113788859-B | Large-steric-hindrance N-heterocyclic carbene-palladium complex, preparation method and application thereof, and synthetic method of sonchibu based on complex | 中山大学 | 2023-03-31 | — | — | CN | claimed |
| WO-2022078306-A1 | LARGE STERIC HINDERANCE PALLADIUM-NITROGEN-HETEROCYCLIC CARBENE COMPLEX, PREPARATION METHOD FOR SAME, APPLICATIONS OF SAME, AND SYNTHESIS METHOD FOR SONIDEGIB BASED ON SAME | 中山大学 | 2022-04-21 | — | — | WO | claimed |
| CN-113788859-A | Large-steric-hindrance N-heterocyclic carbene-palladium complex, preparation method and application thereof, and synthetic method of sonchibu based on complex | 中山大学 | 2021-12-14 | — | — | CN | claimed |
| CN-112209972-A | Large-steric-hindrance N-heterocyclic carbene-palladium complex, preparation method and application thereof, and synthetic method of sonchibu based on complex | 中山大学 | 2021-01-12 | — | — | CN | claimed |
| CN-106045997-B | The preparation method of 2- hydroxyl -1,5- naphthyridines | 烟台凯博医药科技有限公司 | 2019-02-26 | — | — | CN | claimed |
| CN-106432069-A | A method for preparation of 2-amino-5-chloro-pyridine | 安徽工业大学 | 2017-02-22 | — | — | CN | claimed |
| WO-2002012442-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR | NEUROGEN CORPORATION (US) | 2002-02-14 | — | — | WO | claimed |
| JP-2002501024-A | — | — | 2002-01-15 | — | — | JP | claimed |
| US-6176909-B1 | IN POLYMERIC BINDER | XEROX CORPORATION | 2001-01-23 | — | — | US | claimed |
| EP-1051176-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | Aventis Pharmaceuticals Products Inc. (US) | 2000-11-15 | — | — | EP | claimed |
| WO-1999037304-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-07-29 | — | — | WO | claimed |
| EP-0915843-A1 | AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES | SMITHKLINE BEECHAM PLC (GB) | 1999-05-19 | — | — | EP | claimed |
| WO-1997041098-A1 | AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1997-11-06 | — | — | WO | claimed |
| EP-0644881-B1 | 3-PYRIDAZINE DERIVATIVES AND THEIR USE IN RUBBER | MONSANTO CO (US) | 1997-07-30 | — | — | EP | claimed |
| EP-0726255-A2 | 3-Pyridazine derivatives and their use in rubber | MONSANTO COMPANY (US) | 1996-08-14 | — | — | EP | claimed |
| WO-1993025537-A1 | 3-PYRIDAZINE DERIVATIVES AND THEIR USE IN RUBBER | MONSANTO COMPANY (US) | 1993-12-23 | — | — | WO | claimed |