⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30950412 | 0.67 | — | — | |
| SCHEMBL31024291 | 0.63 | — | — | |
| SCHEMBL3659490 | 0.62 | — | — | |
| SCHEMBL31172096 | 0.62 | — | — | |
| SCHEMBL31286112 | 0.62 | — | — | |
| SCHEMBL31041091 | 0.62 | — | — | |
| SCHEMBL18555357 | 0.62 | — | — | |
| SCHEMBL31336766 | 0.62 | — | — | |
| SCHEMBL31292149 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL31143257 | 0.61 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974892-B | Triazole tetrazole compound, and preparation method and application thereof | 四川大学华西医院 | 2023-09-08 | — | — | CN | disclosed |
| CN-115974892-A | Triazole tetrazine compound and preparation method and application thereof | 四川大学华西医院 | 2023-04-18 | — | — | CN | disclosed |
| CN-114814013-A | Method for rapidly screening unknown chemical hazard residues in aquatic products based on high-resolution mass spectrum database | 中国海洋大学 | 2022-07-29 | — | — | CN | disclosed |
| CN-106103440-B | Compound, luminescent material and organic electroluminescence device with the tetrazine and phenanthrene ring structure | 保土谷化学工业株式会社 | 2019-03-26 | — | — | CN | disclosed |
| CN-108727154-A | A kind of preparation method of hexafluoropropylene dimmer | 浙江利化新材料科技有限公司 | 2018-11-02 | — | — | CN | disclosed |
| CN-101668753-B | Direct epoxidation process using a mixed catalyst system | LYONDELL CHEMICAL TECH LP | 2012-01-04 | — | — | CN | disclosed |
| US-7902191-B2 | Histamine H3 receptor antagonists, preparation and therapeutic uses | ELI LILLY AND COMPANY (US) | 2011-03-08 | — | — | US | disclosed |
| CN-101668753-A | Direct epoxidation process using a mixed catalyst system | LYONDELL CHEMICAL TECH LP | 2010-03-10 | — | — | CN | disclosed |
| US-7615654-B2 | Direct epoxidation process | LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) | 2009-11-10 | — | — | US | disclosed |
| US-20070155754-A1 | Histamine h3 receptor antagonists, preparation and therapeutic uses | ELI LILLY AND COMPANY | 2007-07-05 | — | — | US | disclosed |
| US-20070093668-A1 | Direct epoxidation process | LYONDELL CHEMICAL TECHNOLOGY, L.P. | 2007-04-26 | — | — | US | disclosed |
| EP-1720861-A2 | HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES | ELI LILLY AND COMPANY (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005082893-A2 | HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES | ELI LILLY AND COMPANY (US) | 2005-09-09 | — | — | WO | disclosed |