⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL1970604 | 0.98 | CYP3A4 (0.34) | — | |
| SCHEMBL1345237 | 0.77 | — | — | |
| SCHEMBL135781 | 0.73 | — | — | |
| SCHEMBL11776926 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL8160672 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL15074720 | 0.71 | — | — | |
| SCHEMBL27893349 | 0.70 | MAPK1 (0.44) | — | |
| SCHEMBL7048943 | 0.69 | — | — | |
| SCHEMBL5469060 | 0.69 | — | — | |
| SCHEMBL11786338 | 0.69 | — | — |
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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117164531-A | 2, 4-disubstituted 4H-benzo [ d ] [1,3] oxazine series, preparation method and application thereof | 江西师范大学 | 2023-12-05 | — | — | CN | claimed |
| CN-115157811-A | Irradiation-resistant hot melt adhesive double-layer heat-shrinkable sleeve for high-temperature vacuum and preparation method thereof | 大连联合高分子材料有限公司 | 2022-10-11 | — | — | CN | claimed |
| CN-112996768-A | Method for removing monoisocyanates from organic solutions | 陶氏环球技术有限责任公司 | 2021-06-18 | — | — | CN | claimed |
| CN-108699285-A | It is particularly used for the adhesive substance of curved surface | 德莎欧洲股份公司 | 2018-10-23 | — | — | CN | claimed |
| CN-107987518-A | Magnetic-based organic composite shape-stabilized phase change material and preparation method thereof | 大连理工大学 | 2018-05-04 | — | — | CN | claimed |
| CN-102161743-B | Solvent-free aqueous polyurethane dispersion and preparation and application thereof | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2016-04-06 | — | — | CN | claimed |
| CN-100355725-C | Method for synthesis of aliphatic isocyanates from aromatic isocyanates | DEGUSSA (DE) | 2007-12-19 | — | — | CN | claimed |
| EP-1420012-B1 | Process for the preparation of aliphatic isocyanates from aromatic isocyanates | DEGUSSA (DE) | 2006-11-02 | — | — | EP | claimed |
| US-6924385-B2 | Method for synthesis of aliphatic isocyanates from aromatic isocyanates | DEGUSSA AG (DE) | 2005-08-02 | — | — | US | claimed |
| CN-1500776-A | Method for synthesis of aliphatic isocyanates from aromatic isocyanates | 1 | 2004-06-02 | — | — | CN | claimed |
| US-20040097752-A1 | Method for synthesis of aliphatic isocyanates from aromatic isocyanates | DEGUSSA AG (DE) | 2004-05-20 | — | — | US | claimed |
| EP-1420012-A1 | Process for the preparation of aliphatic isocyanates from aromatic isocyanates | Degussa AG (DE) | 2004-05-19 | — | — | EP | claimed |
| EP-0529175-B1 | Conjugates chelated with paramagnetic metals for targetting | BRACCO INT BV (NL) | 1995-08-09 | — | — | EP | claimed |
| US-5414114-A | Method for making conjugate moieties capable of chelating paramagnetic metals and designed for coupling with a factor responsive to specific cellular marker sites | BRACCO INTERNATIONAL B.V. (NL) | 1995-05-09 | — | — | US | claimed |
| EP-0529175-A1 | Conjugates chelated with paramagnetic metals for targetting | BRACCO International B.V. (NL) | 1993-03-03 | — | — | EP | claimed |
| WO-1993001837-A1 | CONJUGATED MOIETIES FOR CHELATING PARAMAGNETIC METALS | SINTETICA S.A. (CH) | 1993-02-04 | — | — | WO | claimed |
| EP-0154437-A2 | Substituted dithiocarbamylurea accelerators | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 1985-09-11 | — | — | EP | claimed |
| JP-58149972-A | — | — | None | — | — | JP | disclosed |
| EP-0070338-A1 | Improvements in or relating to crushing, material-reducing and like machines | MAZEL (1980) LIMITED (GB) | 1983-01-26 | — | — | EP | disclosed |
| US-4024177-A | POLYHYDROXY ALIPHATIC HYDROCARBONS, FORMALDEHYDE, ACRYLAMIDE | HARRISON STUART A | 1977-05-17 | — | — | US | disclosed |