⚠ 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL1350126 | 1.00 | — | — | |
| Tert-Butanol SCHEMBL3327775 | 0.96 | — | — | |
| Tert-Butanol SCHEMBL28202970 | 0.96 | — | — | |
| Acetonitrile SCHEMBL27888289 | 0.91 | — | — | |
| Tert-Butanol SCHEMBL3863233 | 0.86 | ALDH1A1 (0.32) | — | |
| Tert-Butanol SCHEMBL2085430 | 0.86 | ALDH1A1 (0.33) | — | |
| Tert-Butanol SCHEMBL1446272 | 0.86 | ALDH1A1 (0.40) | — | |
| Dimethylketone Cyanohydrin SCHEMBL28838228 | 0.84 | — | — | |
| Tert-Butanol SCHEMBL11102479 | 0.80 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL748090 | 0.80 | — | — |
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 268 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023160541-A1 | PREPARATION METHOD OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 四川海思科制药有限公司 | 2023-08-31 | — | — | WO | claimed |
| CN-113582935-A | Inflammatory corpuscle nucleotide-binding oligomerization domain-like receptor protein 3 inhibitor and preparation method and application thereof | 中国医学科学院放射医学研究所 | 2021-11-02 | — | — | CN | claimed |
| CN-105175280-B | Acetonitrile-tert-butyl alcohol azeotropic mixture continuous extraction distillation and separation method | 济南大学 | 2017-06-23 | — | — | CN | claimed |
| CN-105175280-A | Acetonitrile-tert-butanol azeotropic mixture continuous extraction rectification separation method | UNIV JINAN | 2015-12-23 | — | — | CN | claimed |
| CN-101855739-B | Preparation of high-quality sensitizer dye for dye-sensitized solar cells | SONY CORP | 2012-09-05 | — | — | CN | claimed |
| US-20100313937-A1 | Mesoporous and Nanoporous Materials, and Methods of Synthesizing the Same | SYRACUSE UNIVERSITY (US) | 2010-12-16 | — | — | US | claimed |
| CN-101871164-A | Preparation method of mercury ion colorimetric sensing cellulose material | UNIV ZHEJIANG | 2010-10-27 | — | — | CN | claimed |
| CN-101855739-A | Preparation of high-quality sensitizer dye for dye-sensitized solar cells | SONY CORP | 2010-10-06 | — | — | CN | claimed |
| CN-101240003-A | Method for preparing clofarabine raw material medicament | GUANGZHOU RENXIN PHARMACEUTICA (CN) | 2008-08-13 | — | — | CN | claimed |
| WO-2024011218-A1 | POLYMERIC NANOPARTICLES FOR LONG ACTING DELIVERY OF A PEPTIDE AND METHODS OF MAKING AND USING THEREOF | BROWN UNIVERSITY (US) | 2024-01-11 | — | — | WO | disclosed |
| WO-2023160541-A1 | PREPARATION METHOD OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 四川海思科制药有限公司 | 2023-08-31 | — | — | WO | disclosed |
| WO-2023148275-A1 | CYCLIC EPITOPE TAGS | BioNTech SE (DE) | 2023-08-10 | — | — | WO | disclosed |
| CN-219050366-U | Continuous separation device | 鹤壁市赛科化工有限公司 | 2023-05-23 | — | — | CN | disclosed |
| US-20220098354-A1 | DISPERSION LIQUID, CONDUCTIVE FILM AND PRODUCTION METHOD THEREOF, ELECTRODE, AND SOLAR CELL | ZEON CORPORATION (JP) | 2022-03-31 | — | — | US | disclosed |
| US-5399697-A | N,N',N'-trisubstituted-5-bisaminomethylene-1,3-dioxane-4,6-dione inhibitors of acyl-CoA:cholesterol-acyl transferase | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-03-21 | — | — | US | disclosed |
| US-5380853-A | Atherosclerosis | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-01-10 | — | — | US | disclosed |
| US-5281714-A | Enzyme inhibitors or antioxidants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-01-25 | — | — | US | disclosed |
| US-5179216-A | Anticholesterol agents and atherosclerosis | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-01-12 | — | — | US | disclosed |
| US-5153218-A | N,N',N'-trisubstituted-bis-amino-3-methylene-2,4(3H,5H)-furandione inhibitors of acyl-CoA:cholesterol-acyl transferase | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0471493-A1 | N,N',N'-trisubstituted-5-bisaminomethylene-1,3-dioxane-4,6-dione inhibitors of acyl-CoA:cholesterol-acyl transferase | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-02-19 | — | — | EP | disclosed |