⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2975727 | 0.92 | — | — | |
| SCHEMBL14725996 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL14722137 | 0.80 | — | — | |
| SCHEMBL7044934 | 0.76 | — | — | |
| Trifluoroacetic Acid SCHEMBL2972404 | 0.74 | — | — | |
| SCHEMBL9574777 | 0.74 | — | — | |
| SCHEMBL1829564 | 0.74 | — | — | |
| SCHEMBL7430990 | 0.74 | — | — | |
| SCHEMBL14093961 | 0.74 | — | — | |
| SCHEMBL7222163 | 0.74 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106431085-A | Material for quickly repairing asphalt thin overlay and preparation method thereof | 广东省建筑科学研究院集团股份有限公司 | 2017-02-22 | — | — | CN | claimed |
| EP-1395565-A1 | HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES | Bayer CropScience AG (DE) | 2004-03-10 | — | — | EP | claimed |
| WO-2002096884-A2 | SUBSTITUTED BENZOYLKETONES AS HERBICIDAL AGENTS FOR USE AS PLANT TREATMENT AGENT | BAYER CROPSCIENCE AG (DE) | 2002-12-05 | — | — | WO | claimed |
| WO-2002094792-A1 | HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES | BAYER CROPSCIENCE AG (DE) | 2002-11-28 | — | — | WO | claimed |
| CN-1157461-A | Wide-temp. neutron and gamma ray shielding material | TIANJIN TEXTILE ENGINEERING IN (CN) | 1997-08-20 | — | — | CN | claimed |
| CN-108085021-A | Aligning agent for liquid crystal, liquid crystal orientation film, liquid crystal display element and reaction product | JSR株式会社 | 2018-05-29 | — | — | CN | disclosed |
| CN-106536598-B | Polyimide resin | 三菱瓦斯化学株式会社 | 2018-04-10 | — | — | CN | disclosed |
| CN-106687627-B | Method for producing combined filament yarn, wound body, and woven fabric | 三菱瓦斯化学株式会社 | 2018-02-13 | — | — | CN | disclosed |
| CN-105377947-B | method for producing polyamide resin | 三菱瓦斯化学株式会社 | 2018-01-30 | — | — | CN | disclosed |
| CN-105164166-B | Acrylonitrile, styrene and butadiene-based thermoplastic molding materials | 苯领集团股份公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-107108838-A | Aqueous polyurethane resin composition | 第工业制药株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-105517774-B | The manufacture method of polyolefin works | 三菱瓦斯化学株式会社 | 2017-06-20 | — | — | CN | disclosed |
| CN-106687627-A | Method for producing combined filament yarn, wound body, and woven fabric | 三菱瓦斯化学株式会社 | 2017-05-17 | — | — | CN | disclosed |
| CN-105164167-B | Acrylonitrile, styrene and butadiene-based thermoplastic molding materials | 苯领集团股份公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-106536598-A | Polyimide resin | 三菱瓦斯化学株式会社 | 2017-03-22 | — | — | CN | disclosed |
| CN-106431085-A | Material for quickly repairing asphalt thin overlay and preparation method thereof | 广东省建筑科学研究院集团股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-105517774-A | Method for producing a polyolefin structure | MITSUBISHI GAS CHEMICAL CO | 2016-04-20 | — | — | CN | disclosed |
| US-3969365-A | ANTIINFLAMMATORY, HYPOGLYCEMIC | E. R. SQUIBB & SONS, INC. (US) | 1976-07-13 | — | — | US | disclosed |