⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6057174 | 1.00 | ACHE (0.32) | — | |
| SCHEMBL22388371 | 1.00 | ACHE (0.32) | — | |
| SCHEMBL22388432 | 1.00 | ACHE (0.32) | — | |
| SCHEMBL4194212 | 1.00 | — | — | |
| SCHEMBL1145786 | 1.00 | ACHE (0.32) | — | |
| SCHEMBL1145601 | 1.00 | — | — | |
| Iodide SCHEMBL28948417 | 0.97 | ACHE (0.31) | — | |
| SCHEMBL722771 | 0.96 | — | — | |
| SCHEMBL721065 | 0.89 | — | — | |
| SCHEMBL12326322 | 0.82 | ALDH1A1 (0.44) | — |
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 673 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104807895-B | The analysis method of sulphur content cloth, the sulfide qualitative analysis database utilized and application thereof in a kind of methyl tert-butyl ether product | 中国石油化工股份有限公司 | 2019-07-09 | — | — | CN | claimed |
| CN-104807895-A | Method for analyzing distribution of sulfur in methyl tert-butyl ether, sulfide qualitative analysis database, and use of database | CHINA PETROLEUM & CHEMICAL | 2015-07-29 | — | — | CN | claimed |
| EP-1879567-A1 | AMINO ACID DERIVATIVES | Pfizer Limited (GB) | 2008-01-23 | — | — | EP | claimed |
| WO-2007135350-A1 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-11-29 | — | — | WO | claimed |
| WO-2007135417-A1 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-11-29 | — | — | WO | claimed |
| CN-1984564-A | Aminocarbonyl-substituted thienylsulfonylamino (thio) carbonyltriazolin (thi) ones, process for their preparation and their use | BAYER CROPSCIENCE AG (DE) | 2007-06-20 | — | — | CN | claimed |
| CN-1976585-A | Substituted pyridazine carboxamides and derivatives thereof | BAYER CROPSCIENCE AG (DE) | 2007-06-06 | — | — | CN | claimed |
| US-7220770-B2 | Heterocyclo-substituted imidazoles for the treatment of inflammation | KHANNA ISH K | 2007-05-22 | — | — | US | claimed |
| WO-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | claimed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | claimed |
| EP-0552489-A2 | Peptide, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-07-28 | — | — | EP | claimed |
| EP-0256367-B1 | SUBSTITUTED HYDROXY PROPYLAMINE DERIVATIVES | BAYER AG (DE) | 1990-08-29 | — | — | EP | claimed |
| EP-0269916-A1 | Saccharin salts of substituted hydroxypropylamines | BAYER AG (DE) | 1988-06-08 | — | — | EP | claimed |
| US-4735711-A | ORGANIC MONOSULFIDE | THE DOW CHEMICAL COMPANY (US) | 1988-04-05 | — | — | US | claimed |
| EP-0256367-A1 | Substituted hydroxy propylamine derivatives | BAYER AG (DE) | 1988-02-24 | — | — | EP | claimed |
| EP-0093010-B1 | ALPHA-HYDROXYETHYLPHOSPHINATES, AND THEIR PRODUCTION AND USE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-06-11 | — | — | EP | claimed |
| US-4544652-A | α-Hydroxyethylphosphinates, and their use as fungicides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-10-01 | — | — | US | claimed |
| EP-0093010-A2 | Alpha-hydroxyethylphosphinates, and their production and use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1983-11-02 | — | — | EP | claimed |
| US-4310459-A | Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters | BRISTOL-MYERS COMPANY (US) | 1982-01-12 | — | — | US | claimed |
| US-4181733-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1980-01-01 | — | — | US | claimed |