⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3991309 | 0.77 | TSHR (0.61) | — | |
| SCHEMBL23239 | 0.77 | — | — | |
| SCHEMBL97022 | 0.75 | — | — | |
| Cyanide SCHEMBL28124146 | 0.75 | TSHR (0.52) | — | |
| Hydrochloric Acid SCHEMBL31618288 | 0.74 | TSHR (0.58) | — | |
| Phosphine SCHEMBL22230521 | 0.74 | TSHR (0.58) | — | |
| Fluoride SCHEMBL28376896 | 0.74 | TSHR (0.58) | — | |
| SCHEMBL1395277 | 0.74 | TSHR (0.58) | — | |
| SCHEMBL10786340 | 0.74 | TSHR (0.58) | — | |
| Water SCHEMBL27915574 | 0.74 | TSHR (0.58) | — |
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 207 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024083220-A1 | LIGAND-OLIGONUCLEOTIDE CONJUGATE AND LINKER FOR CONJUGATE | 上海京新生物医药有限公司 | 2024-04-25 | — | — | WO | claimed |
| CN-111909218-B | Phenol oxyimine substituted ruthenium complex, preparation and application thereof | 上海化工研究院有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-117430498-A | (E) Process for preparing oct-4-ene-1, 8-dioic acid | 四川科瑞德制药股份有限公司 | 2024-01-23 | — | — | CN | claimed |
| CN-114621382-B | High-entropy insulating polymer for electrocaloric refrigeration and preparation method thereof | 上海交通大学 | 2022-11-29 | — | — | CN | claimed |
| CN-115326761-A | Kit for detecting residual amount of eugenol and application thereof | 中国水产科学研究院南海水产研究所 | 2022-11-11 | — | — | CN | claimed |
| CN-114621382-A | High-entropy insulating polymer for electrocaloric refrigeration and preparation method thereof | 上海交通大学 | 2022-06-14 | — | — | CN | claimed |
| CN-113087879-B | High-temperature electrostatic energy storage double-chain structure polymer dielectric and preparation method thereof | 上海交通大学 | 2022-02-25 | — | — | CN | claimed |
| CN-113087879-A | High-temperature electrostatic energy storage double-chain structure polymer dielectric and preparation method thereof | 上海交通大学 | 2021-07-09 | — | — | CN | claimed |
| CN-111393615-B | Fluorescent high-molecular compound based on polynorbornene main chain and space charge transfer luminescence, preparation method and luminescent device | 中国科学院长春应用化学研究所 | 2021-05-28 | — | — | CN | claimed |
| CN-111909218-A | Phenoxyimine substituted ruthenium complex and preparation and application thereof | 上海化工研究院有限公司 | 2020-11-10 | — | — | CN | claimed |
| EP-1853583-A1 | AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2007-11-14 | — | — | EP | claimed |
| US-20070054919-A1 | Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION | 2007-03-08 | — | — | US | claimed |
| US-20070021611-A1 | Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION | 2007-01-25 | — | — | US | claimed |
| US-20060276448-A1 | Heteroaryl substituted pyrazinyl-piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. | 2006-12-07 | — | — | US | claimed |
| US-20060276480-A1 | 1-(3-Chloro,4-methylsulfonamidopyrid-2-yl),3-ethyl,4-((2-methoxy,4-chlorophenyl)-piperidin-4-yl)-piperazine; chemokine receptor antagonist; G-proteind coupled receptor inhibitors; antiinflammatory agents; psoriasis; antitumor/-carcinogenic agents; antidiabetic agents viricides; autoimmune diseases | Schering Corporation and | 2006-12-07 | — | — | US | claimed |
| WO-2006091428-A2 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-31 | — | — | WO | claimed |
| WO-2006088920-A1 | AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | claimed |
| WO-2006088921-A2 | PYRAZINYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | claimed |
| WO-2006088919-A2 | PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | claimed |
| EP-0534520-B1 | Process for the preparation of 4-substituted-1,4-dihydropyridines | MERCK & CO INC (US) | 1997-03-19 | — | — | EP | claimed |