⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5587896 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL647527 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL1038339 | 0.78 | — | — | |
| SCHEMBL29706272 | 0.77 | TAAR1 (0.71) | — | |
| SCHEMBL29357407 | 0.77 | HSPA5 (1.00) | — | |
| SCHEMBL1222973 | 0.77 | TAAR1 (0.71) | — | |
| SCHEMBL49745 | 0.77 | HSPA5 (1.00) | — | |
| SCHEMBL15717687 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL16564674 | 0.75 | TAAR1 (0.56) | — | |
| Salicyl Alcohol SCHEMBL17028795 | 0.74 | HSPA5 (0.65) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113820420-B | Method for measuring chemical components in intelligence-developing wine by using UPLC-Q-TOF-MS | 中国热带农业科学院热带作物品种资源研究所 | 2023-04-18 | — | — | CN | claimed |
| WO-2023117980-A1 | ENVIRONMENTAL ATTRIBUTES FOR PLASTIC ADDITIVES | BASF SE (DE) | 2023-06-29 | — | — | WO | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| EP-3856807-A1 | PHOTOCURABLE COMPOSITION FOR USE IN 3D PRINTING | BASF SE (DE) | 2021-08-04 | — | — | EP | disclosed |
| WO-2020064522-A1 | PHOTOCURABLE COMPOSITION FOR USE IN 3D PRINTING | BASF SE (DE) | 2020-04-02 | — | — | WO | disclosed |
| WO-2019199800-A1 | SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2019-10-17 | — | — | WO | disclosed |
| WO-2014152018-A1 | OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-09-25 | — | — | WO | disclosed |
| WO-2013073709-A1 | RESIN COMPOSITION HAVING LIGHT GUIDING PROPERTIES, AND LIGHT-GUIDING MOLDED ARTICLE AND PLANAR LIGHT SOURCE MADE FROM SAME | 帝人化成株式会社 (JP) | 2013-05-23 | — | — | WO | disclosed |
| CN-101272774-B | Substituted acrylamide derivative and pharmaceutical composition comprising the same | DAIICHI SANKYO CO LTD | 2011-06-08 | — | — | CN | disclosed |
| CN-101272774-A | Substituted acrylamide derivative and pharmaceutical composition comprising the same | DAIICHI SANKYO CO LTD (JP) | 2008-09-24 | — | — | CN | disclosed |
| CN-1713909-A | Aminoindazole derivatives and their use as kinase inhibitors | AVENTIS PHARMA SA (FR) | 2005-12-28 | — | — | CN | disclosed |
| EP-0737329-B1 | TABULAR GRAIN EMULSIONS WITH SELECTED SITE HALIDE CONVERSIONS AND PROCESSES FOR THEIR PREPARATION | EASTMAN KODAK CO (US) | 2002-04-03 | — | — | EP | disclosed |