⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL210278 | 1.00 | — | — | |
| SCHEMBL7030375 | 0.79 | — | — | |
| SCHEMBL7030376 | 0.79 | — | — | |
| SCHEMBL28037573 | 0.77 | — | — | |
| SCHEMBL28781856 | 0.77 | — | — | |
| SCHEMBL542268 | 0.77 | HCAR2 (0.40) | — | |
| SCHEMBL17837861 | 0.77 | — | — | |
| SCHEMBL542266 | 0.77 | HCAR2 (0.40) | — | |
| SCHEMBL17837860 | 0.77 | — | — | |
| SCHEMBL542267 | 0.77 | HCAR2 (0.40) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250188470-A1 | MULTIPLEXING TARGETING LIGANDS THROUGH CLICK CHEMISTRY AT THE ANOMERIC SITE OF SUGARS | ALNYLAM PHARMACEUTICALS, INC. (US) | 2025-06-12 | — | — | US | disclosed |
| CN-114828961-B | Compositions and methods for enhancing opioid receptor binding via opioid hexadienoate and optionally substituted hexadienoate | 卡帕制药有限责任公司 | 2024-03-29 | — | — | CN | disclosed |
| US-11851439-B2 | Compositions and methods of use for opioid hexadienoates and optionally substituted hexadienoates | Kappa-Pharma LLC (US) | 2023-12-26 | — | — | US | disclosed |
| US-11780837-B2 | CXCR4 inhibitors and uses thereof | X4 PHARMACEUTICALS, INC. (US) | 2023-10-10 | — | — | US | disclosed |
| US-20220372032-A1 | CXCR4 INHIBITORS AND USES THEREOF | X4 PHARMACEUTICALS, INC. | 2022-11-24 | — | — | US | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-114828961-A | Compositions and methods for enhancing opioid receptor binding via opioid adienoates and optionally substituted hexadienoate | 卡帕制药有限责任公司 | 2022-07-29 | — | — | CN | disclosed |
| EP-4010078-A1 | COMPOSITIONS AND METHODS OF ENHANCING OPIOID RECEPTOR ENGAGEMENT BY OPIOID HEXADIENOATES AND OPTIONALLY SUBSTITUTED HEXADIENOATES | Kappa-Pharma LLC (US) | 2022-06-15 | — | — | EP | disclosed |
| US-20210395260-A1 | COMPOSITIONS AND METHODS OF USE FOR OPIOID HEXADIENOATES AND OPTIONALLY SUBSTITUTED HEXADIENOATES | Kappa-Pharma LLC (US) | 2021-12-23 | — | — | US | disclosed |
| US-11186585-B2 | Compositions and methods of enhancing opioid receptor engagement by opioid hexadienoates and optionally substituted hexadienoates | Kappa-Pharma LLC (US) | 2021-11-30 | — | — | US | disclosed |
| US-20200055864-A1 | COMPOSITIONS AND METHODS OF ENHANCING OPIOID RECEPTOR ENGAGEMENT BY OPIOID HEXADIENOATES AND OPTIONALLY SUBSTITUTED HEXADIENOATES | Kappa-Pharma LLC (US) | 2020-02-20 | — | — | US | disclosed |
| EP-3074386-A1 | NOVEL AMINO PYRIMIDINE DERIVATIVES | Novartis AG (CH) | 2016-10-05 | — | — | EP | disclosed |
| WO-2015079417-A1 | NOVEL AMINO PYRIMIDINE DERIVATIVES | NOVARTIS AG (CH) | 2015-06-04 | — | — | WO | disclosed |
| US-8692018-B2 | Application of iridium complexes in asymmetric catalytic hydrogenation of unsaturated carboxylic acids | Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) | 2014-04-08 | — | — | US | disclosed |
| US-20130153440-A9 | RF SYSTEMS AND METHODS FOR PROCESSING SALT WATER | KC ENERGY, LLC (US) | 2013-06-20 | — | — | US | disclosed |
| US-20110092732-A1 | APPLICATION OF IRIDIUM COMPLEXES IN ASYMMETRIC CATALYTIC HYDROGENATION OF UNSATURATED CARBOXYLIC ACIDS | Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) | 2011-04-21 | — | — | US | disclosed |
| US-20090294300-A1 | RF SYSTEMS AND METHODS FOR PROCESSING SALT WATER | KC ENERGY, LLC (US) | 2009-12-03 | — | — | US | disclosed |
| US-20070142472-A1 | Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2007-06-21 | — | — | US | disclosed |
| US-20070142472-A1 | Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2007-06-21 | — | — | US | disclosed |
| US-5155263-A | Contacting 1,2-butanediol with molecular oxygen in the presence of a platinum catalyst | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1992-10-13 | — | — | US | disclosed |