⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27497776 | 0.77 | — | — | |
| SCHEMBL7789795 | 0.76 | — | — | |
| SCHEMBL6529951 | 0.75 | — | — | |
| SCHEMBL2052963 | 0.75 | — | — | |
| SCHEMBL5185769 | 0.75 | ALDH1A1 (0.64) | — | |
| Allylthiourea SCHEMBL29372 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27646724 | 0.73 | — | — | |
| Allylthiourea SCHEMBL29111187 | 0.72 | — | — | |
| Allylthiourea SCHEMBL10882505 | 0.72 | — | — | |
| Allylthiourea SCHEMBL30309853 | 0.72 | — | — |
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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106966936-A | A kind of preparation method of the water-soluble fluorescent orange silicon nano of high stability | 南开大学 | 2017-07-21 | — | — | CN | claimed |
| US-8865130-B2 | Methods and compositions for diagnostic and therapeutic targeting of COX-2 | VANDERBILT UNIVERSITY (US) | 2014-10-21 | — | — | US | claimed |
| US-20130052138-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2013-02-28 | — | — | US | claimed |
| US-8143302-B2 | Methods and compositions for diagnostic and therapeutic targeting of COX-2 | VANDERBILT UNIVERSITY (US) | 2012-03-27 | — | — | US | claimed |
| US-20100254910-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2010-10-07 | — | — | US | claimed |
| US-7736624-B2 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | UNIV VANDERBILT (US) | 2010-06-15 | — | — | US | claimed |
| EP-2040699-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | Vanderbilt University Medical Center (US) | 2009-04-01 | — | — | EP | claimed |
| WO-2007149456-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2007-12-27 | — | — | WO | claimed |
| US-20070292352-A1 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | VANDERBILT UNIVERSITY (US) | 2007-12-20 | — | — | US | claimed |
| US-4853483-A | Preparation of alkyl thiosemicarbazides | ICI AMERICAS INC. (US) | 1989-08-01 | — | — | US | claimed |
| EP-0308225-A2 | Preparation of alkyl thiosemicarbazides | ICI AMERICAS INC. (US) | 1989-03-22 | — | — | EP | claimed |
| US-4237066-A | Preparation of lower alkyl thiosemicarbazides | MOBAY CHEMICAL CORPORATION (US) | 1980-12-02 | — | — | US | claimed |
| US-4173581-A | Process for the preparation of alkylthiosemicarbazides | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-06 | — | — | US | claimed |
| CN-117567340-A | Preparation method of methyl thiosemicarbazide | 湖南化工研究院有限公司 | 2024-02-20 | — | — | CN | disclosed |
| EP-3652170-A1 | 5-{4-ALLYL-5-[2-(4-ALKOXYPHENYL)QUINOLIN-4-YL]-4H-1,2,4-TRIAZOL-3-YLSULPHANYLMETHYL}FURAN-2-CARBOXYLIC ACIDS IN THE TREATMENT OF CANCER | Protneteomix (FR) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019012042-A1 | 5-{4-ALLYL-5-[2-(4-ALKOXYPHENYL)QUINOLIN-4-YL]-4H-1,2,4-TRIAZOL-3-YLSULPHANYLMETHYL}FURAN-2-CARBOXYLIC ACIDS IN THE TREATMENT OF CANCER | PROTNETEOMIX (FR) | 2019-01-17 | — | — | WO | disclosed |
| US-4018759-A | BACTERICIDES | SMITHKLINE CORPORATION (US) | 1977-04-19 | — | — | US | disclosed |
| US-3957768-A | BACTERICIDES | SMITHKLINE CORPORATION (US) | 1976-05-18 | — | — | US | disclosed |
| US-3946005-A | BACTERICIDES | SMITHKLINE CORPORATION (US) | 1976-03-23 | — | — | US | disclosed |
| US-3943129-A | BACTERICIDE | SMITHKLINE CORPORATION (US) | 1976-03-09 | — | — | US | disclosed |