⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28494796 | 0.96 | — | — | |
| SCHEMBL30521601 | 0.96 | — | — | |
| Thiourea SCHEMBL28489300 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL537691 | 0.65 | — | — | |
| SCHEMBL821933 | 0.65 | — | — | |
| SCHEMBL28164903 | 0.62 | — | — | |
| SCHEMBL5639791 | 0.61 | — | — | |
| SCHEMBL5640922 | 0.61 | — | — | |
| SCHEMBL28725062 | 0.59 | — | — | |
| SCHEMBL10413298 | 0.57 | — | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112300079-B | N-difluoromethyl azole selenourea derivative or pharmaceutically acceptable salt and application thereof | 华南农业大学 | 2023-10-20 | — | — | CN | claimed |
| CN-110036004-A | Inhibitors of cyclin dependent kinase 7(CDK7) | 希洛斯医药品股份有限公司 | 2019-07-19 | — | — | CN | claimed |
| US-20120222557-A1 | IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2012-09-06 | — | — | US | claimed |
| WO-2011056895-A1 | IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2011-05-12 | — | — | WO | claimed |
| CN-115960055-B | N-difluoromethyl benzothiazole/oxazolselenone compound, and preparation method and application thereof | 华南农业大学 | 2024-05-10 | — | — | CN | disclosed |
| CN-112300079-B | N-difluoromethyl azole selenourea derivative or pharmaceutically acceptable salt and application thereof | 华南农业大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-112300079-B | N-difluoromethyl azole selenourea derivative or pharmaceutically acceptable salt and application thereof | 华南农业大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-112300079-B | N-difluoromethyl azole selenourea derivative or pharmaceutically acceptable salt and application thereof | 华南农业大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-116332937-A | Dipeptidyl peptidase I inhibitors and uses thereof | 杭州邦顺制药有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-112194634-B | Preparation method of N-difluoromethyl imidazole sulfur (selenium) urea derivative | 华南农业大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-112194634-B | Preparation method of N-difluoromethyl imidazole sulfur (selenium) urea derivative | 华南农业大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-114685495-A | N-difluoromethyl dinitrogen heterocyclic selenourea compounds with insecticidal, antibacterial, herbicidal and anticancer effects, and preparation and application thereof | 华南农业大学 | 2022-07-01 | — | — | CN | disclosed |
| US-6699887-B2 | ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION | HOFFMANN-LA ROCHE INC. | 2004-03-02 | — | — | US | disclosed |
| EP-1341766-A1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-10 | — | — | EP | disclosed |
| EP-1326843-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. Hoffmann-La Roche AG (CH) | 2003-07-16 | — | — | EP | disclosed |
| US-6518293-B2 | Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. | HOFFMANN-LA ROCHE INC. | 2003-02-11 | — | — | US | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | disclosed |
| US-20020107272-A1 | Anti-HIV imidazolone derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-08 | — | — | US | disclosed |
| WO-2002042279-A1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | WO | disclosed |
| WO-2002030907-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | WO | disclosed |