⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL250 | 0.55 | — | — | |
| SCHEMBL3804487 | 0.55 | — | — | |
| Butadiene SCHEMBL11854764 | 0.55 | TRPA1 (0.44) | — | |
| SCHEMBL192 | 0.55 | — | — | |
| SCHEMBL17164676 | 0.55 | — | — | |
| SCHEMBL11498161 | 0.55 | — | — | |
| Butadiene SCHEMBL11480793 | 0.55 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 0.55 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.55 | — | — | |
| Butadiene SCHEMBL23406461 | 0.50 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102153523-A | Thiazole amino acid salt type ionic liquid and preparation method thereof | UNIV TIANJIN POLYTECHNIC | 2011-08-17 | — | — | CN | claimed |
| EP-3182129-B1 | METHOD OF SCREENING A THERAPEUTIC AGENT FOR K-RAS MUTANT CANCER | RAND BIO SCIENCE INC (KR) | 2018-12-26 | — | — | EP | disclosed |
| EP-3182129-A1 | CHEMICAL INHIBITOR OF P53-SNAIL BINDING AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER DISEASE CONTAINING SAME AS ITS ACTIVE INGREDIENT | RAND Bio Science Inc. (KR) | 2017-06-21 | — | — | EP | disclosed |
| US-9400281-B2 | Method of screening of therapeutic agents for K-Ras mutant driven cancers | PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) | 2016-07-26 | — | — | US | disclosed |
| US-20140147866-A1 | COMPOUND FOR INHIBITING SNAIL-P53 BINDING AND THERAPEUTIC AGENT FOR CANCER INCLUDING THE COMPOUND AS EFFECTIVE COMPONENT | THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (KR) | 2014-05-29 | — | — | US | disclosed |
| US-20120015960-A1 | CHEMICAL INHIBITOR OF P53-SNAIL BINDING AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER DISEASE CONTAINING SAME AS ITS ACTIVE INGREDIENT | THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (KR) | 2012-01-19 | — | — | US | disclosed |
| EP-2377849-A2 | CHEMICAL INHIBITOR OF P53-SNAIL BINDING AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER DISEASE CONTAINING SAME AS ITS ACTIVE INGREDIENT | Pusan National University Industry-University Cooperation Foundation (KR) | 2011-10-19 | — | — | EP | disclosed |
| CN-102153523-A | Thiazole amino acid salt type ionic liquid and preparation method thereof | UNIV TIANJIN POLYTECHNIC | 2011-08-17 | — | — | CN | disclosed |
| WO-2005119820-A1 | POSITIVE ELECTRODE ACTIVE MATERIAL FOR LITHIUM ION SECONDARY CELL COATED HETERO METAL OXIDE ON THE SURFACE AND LITHIUM ION SECONDARY CELL COMPRISING IT | VK CORPORATION (KR) | 2005-12-15 | — | — | WO | disclosed |