⚠ 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL20590318 | 1.00 | ALDH1A1 (0.43) | — | |
| Tert-Butanol SCHEMBL17822095 | 0.95 | — | — | |
| Tert-Butanol SCHEMBL4057452 | 0.86 | — | — | |
| Tert-Butanol SCHEMBL3863233 | 0.82 | ALDH1A1 (0.32) | — | |
| Methylene Chloride SCHEMBL11566778 | 0.79 | — | — | |
| Methylene Chloride SCHEMBL4633999 | 0.79 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.78 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL20503401 | 0.78 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL282 | 0.78 | — | — | |
| Methylene Chloride SCHEMBL5375622 | 0.78 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107540655-A | A kind of new preparation S（Perfluoroalkyl）The method of dibenzothiophenes fluoroform sulphonate | 浙江九洲药业股份有限公司 | 2018-01-05 | — | — | CN | claimed |
| CN-107311956-A | One kind Chinese mugwort card, which is stamped, takes charge of his synthetic method | 合肥圣迪利克医药科技有限公司 | 2017-11-03 | — | — | CN | claimed |
| CN-101326166-A | Novel N-sulfamoyl-piperidine amides for the prevention or treatment of obesity and related disorders | SOLVAY PHARM GMBH (DE) | 2008-12-17 | — | — | CN | disclosed |
| CN-101182322-A | Method for preparing antiviral drug of Entecavir | FUJIAN GUANGSHENG TANG PHARMAC (CN) | 2008-05-21 | — | — | CN | disclosed |
| US-5756549-A | RENIN INHIBITORS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5488066-A | Alkylaminoalkyl-terminated sulfide/sulfonyl-containing cycloalkyl-alanine amino-diol compounds for treatment of hypertension | G. D. SEARLE & CO. (US) | 1996-01-30 | — | — | US | disclosed |
| US-5416119-A | Alkylaminoalkyl-terminated sulfide/sulfonyl-containing cycloalkyl-alanine amino-diol compounds for treatment of hypertension | G. D. SEARLE & CO. (US) | 1995-05-16 | — | — | US | disclosed |
| US-5317039-A | Renin inhibitors with peptides | G. D. SEARLE & CO. (US) | 1994-05-31 | — | — | US | disclosed |
| EP-0410881-A2 | Semisynthetic ganglioside analogues | FIDIA S.p.A. (IT) | 1991-01-30 | — | — | EP | disclosed |
| US-4018782-A | 1-OXAPENICILLINS, ANTIBIOTICS | QUEEN'S UNIVERSITY (CA) | 1977-04-19 | — | — | US | disclosed |
| US-3985764-A | REACTING CHLORINATED ESTERS OF ANHYDROBENZYLPENICILLIN WITH ALUMINA OR SILICA GEL | QUEEN'S UNIVERSITY (CA) | 1976-10-12 | — | — | US | disclosed |
| US-3950352-A | ANTIBIOTICS, OXAPENICILLINS | QUEEN'S UNIVERSITY (CA) | 1976-04-13 | — | — | US | disclosed |
| US-3948927-A | ANTIBIOTIC INTERMEDIATE | QUEEN'S UNIVERSITY (CA) | 1976-04-06 | — | — | US | disclosed |