⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5188474 | 0.79 | — | — | |
| SCHEMBL22148540 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL317552 | 0.72 | — | — | |
| SCHEMBL68458 | 0.72 | — | — | |
| SCHEMBL1155325 | 0.72 | — | — | |
| SCHEMBL7087574 | 0.72 | — | — | |
| SCHEMBL9879686 | 0.72 | — | — | |
| SCHEMBL10937979 | 0.72 | — | — | |
| SCHEMBL10937975 | 0.72 | — | — | |
| SCHEMBL1155789 | 0.70 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118256934-A | Method for preparing adiponitrile by electrochemical cyanidation and reduction of butadiene | 万华化学集团股份有限公司 | 2024-06-28 | — | — | CN | claimed |
| CN-118256934-A | Method for preparing adiponitrile by electrochemical cyanidation and reduction of butadiene | 万华化学集团股份有限公司 | 2024-06-28 | — | — | CN | disclosed |
| EP-3611175-B1 | NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF | YAMAMOTO CHEMICALS INC (JP) | 2022-02-09 | — | — | EP | disclosed |
| US-20160355616-A1 | Polyvinyl Pyrrolidone analog Polymers | LOGIN ROBERT BERNARD (US) | 2016-12-08 | — | — | US | disclosed |
| US-20160355616-A1 | Polyvinyl Pyrrolidone analog Polymers | LOGIN ROBERT BERNARD (US) | 2016-12-08 | — | — | US | disclosed |
| CN-102617399-A | Process for making nitrile compounds from ethylenically unsaturated compounds | RHODIA POLYAMIDE INTERMEDIATES | 2012-08-01 | — | — | CN | disclosed |
| CN-101171233-B | High-purity acetonitrile and method for producing same | ASAHI CHEMICAL IND (JP) | 2011-04-20 | — | — | CN | disclosed |
| CN-100435952-C | Method for making nitrile compounds from ethylenically unsaturated compounds | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2008-11-26 | — | — | CN | disclosed |
| CN-101171233-A | High-purity acetonitrile and method for producing same | ASAHI CHEMICAL CORP (JP) | 2008-04-30 | — | — | CN | disclosed |
| CN-1674989-A | Method for making nitrile compounds from ethylenically unsaturated compounds | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2005-09-28 | — | — | CN | disclosed |
| CN-1675172-A | Method for producing nitriles from ethylenically unsaturated compounds | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2005-09-28 | — | — | CN | disclosed |