⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170499 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL5162942 | 0.74 | — | — | |
| SCHEMBL8615657 | 0.74 | — | — | |
| SCHEMBL4159663 | 0.72 | — | — | |
| SCHEMBL9740335 | 0.71 | — | — | |
| SCHEMBL2037957 | 0.70 | ALOX15 (0.36) | — | |
| Water SCHEMBL28299949 | 0.69 | — | — | |
| SCHEMBL6293725 | 0.69 | — | — | |
| SCHEMBL16027145 | 0.69 | — | — | |
| SCHEMBL277478 | 0.69 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0727317-A1 | 2-Cyano-3,3-diarylacrylate UV dyes for laser recording element | EASTMAN KODAK COMPANY (US) | 1996-08-21 | — | — | EP | claimed |
| EP-2842944-B1 | METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | NIPPON SODA CO (JP) | 2017-03-15 | — | — | EP | disclosed |
| EP-2557078-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NIPPON SODA CO (JP) | 2016-03-23 | — | — | EP | disclosed |
| EP-2730561-B1 | Methods to prepare haloalkyl nitrogen-containing heterocyclic compounds | NIPPON SODA CO (JP) | 2015-10-14 | — | — | EP | disclosed |
| US-8981107-B2 | Nitrogen-containing heterocyclic compound and method for producing same | NIPPON SODA CO., LTD. (JP) | 2015-03-17 | — | — | US | disclosed |
| EP-2842944-A1 | Method for producing nitrogen-containing heterocyclic compound | NIPPON SODA CO., LTD. (JP) | 2015-03-04 | — | — | EP | disclosed |
| US-8962849-B2 | Nitrogen-containing heterocyclic compound and method for producing same | NIPPON SODA CO., LTD. (JP) | 2015-02-24 | — | — | US | disclosed |
| US-8962850-B2 | Nitrogen-containing heterocyclic compound and method for producing same | NIPPON SODA CO., LTD. (JP) | 2015-02-24 | — | — | US | disclosed |
| US-8809544-B2 | Nitrogen-containing heterocyclic compound and method for producing same | NIPPON SODA CO., LTD. (JP) | 2014-08-19 | — | — | US | disclosed |
| US-20140194629-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NIPPON SODA CO., LTD. (JP) | 2014-07-10 | — | — | US | disclosed |
| US-5380714-A | Adenosine antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-01-10 | — | — | US | disclosed |
| US-5356894-A | Adenosine antagonists | SYNGENTA LIMITED (GB) | 1994-10-18 | — | — | US | disclosed |
| US-5290776-A | Antagonist of vasodilation activity of adenosine | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1994-03-01 | — | — | US | disclosed |
| US-5270311-A | [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-14 | — | — | US | disclosed |
| US-5246932-A | Adenosine antagonist such as vasodilation | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-09-21 | — | — | US | disclosed |
| EP-0544443-A1 | Azole derivatives as adenosine antagonists | ZENECA LIMITED (GB) | 1993-06-02 | — | — | EP | disclosed |
| EP-0515107-A2 | Azolo (1,3,5) triazines as adenosine antagonists | ZENECA LIMITED (GB) | 1992-11-25 | — | — | EP | disclosed |
| EP-0515108-A2 | Azolo (1,3,5) triazines as adenosine antagonists | ZENECA LIMITED (GB) | 1992-11-25 | — | — | EP | disclosed |
| EP-0459702-A1 | Azole Derivatives | ZENECA LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |
| US-4837293-A | Linear bisphenol epoxy polymers containing cyano groups | THE DOW CHEMICAL COMPANY (US) | 1989-06-06 | — | — | US | disclosed |