⚠ 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 | |
|---|---|---|---|---|
| Bromomethane SCHEMBL15110746 | 1.00 | — | — | |
| Cyclooctane SCHEMBL11365215 | 1.00 | — | — | |
| Cyclohexane SCHEMBL4175245 | 1.00 | — | — | |
| Cyclopropane SCHEMBL7188678 | 0.73 | — | — | |
| Cyclopentane SCHEMBL12475482 | 0.73 | — | — | |
| Cyclohexane SCHEMBL12475590 | 0.73 | — | — | |
| Ethane SCHEMBL9395318 | 0.73 | — | — | |
| Cyclooctane SCHEMBL8564806 | 0.73 | — | — | |
| SCHEMBL25378505 | 0.71 | ALDH1A1 (0.33) | — | |
| Cyclooctane SCHEMBL11038481 | 0.71 | ALDH1A1 (0.33) | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110452199-B | Preparation method of feloxicib | 山东鲁抗舍里乐药业有限公司 | 2021-03-30 | — | — | CN | claimed |
| CN-101570539-A | Morphinone quaternary ammonium salt derivatives and preparation method thereof | YOUMAO QI (CN) | 2009-11-04 | — | — | CN | claimed |
| CN-101386604-A | Aromatic nitrile-base thiazole derivatives for inhibiting xanthine oxidase activity, preparation method and application | YOUMAO QI (CN) | 2009-03-18 | — | — | CN | claimed |
| CN-110452199-B | Preparation method of feloxicib | 山东鲁抗舍里乐药业有限公司 | 2021-03-30 | — | — | CN | disclosed |
| CN-111417638-A | Method of producing a composite material | 庄信万丰股份有限公司 | 2020-07-14 | — | — | CN | disclosed |
| WO-2019161803-A1 | PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF | 南京药捷安康生物科技有限公司 | 2019-08-29 | — | — | WO | disclosed |
| WO-2014125408-A2 | SUBSTITUTED 1H-PYRROLOPYRIDINONE DERIVATIVES AS KINASE INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-08-21 | — | — | WO | disclosed |
| EP-1804794-B1 | SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE | MERCK SHARP & DOHME (US) | 2013-07-31 | — | — | EP | disclosed |
| CN-101448397-B | Selective benzylamine derivatives and their use as cholesteryl ester transfer protein inhibitors | REDDYS LAB LTD DR | 2013-04-24 | — | — | CN | disclosed |
| US-8114887-B2 | Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme Corp. (US) | 2012-02-14 | — | — | US | disclosed |
| CN-100595204-C | Bisaminated phosphonate prodrugs | METABASIS THERAPEUTICS INC | 2010-03-24 | — | — | CN | disclosed |
| EP-1804794-A2 | SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE | Merck & Co., Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| CN-1900087-A | Novel heteroaromatic inhibitors of fructose 1,6-bisphosphatase | METABASIS THERAPEUTICS INC (US) | 2007-01-24 | — | — | CN | disclosed |
| WO-2006044497-A2 | SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER’S DISEASE | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | disclosed |
| CN-1740182-A | Novel bisamidate phosphonate prodrugs | METABASIS THERAPEUTICS INC (US) | 2006-03-01 | — | — | CN | disclosed |
| CN-1704423-A | Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase | METABASIS THERAPEUTICS INC (US) | 2005-12-07 | — | — | CN | disclosed |
| CN-1215076-C | Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase | METABASIS THERAPEUTICS INC (US) | 2005-08-17 | — | — | CN | disclosed |
| CN-1599612-A | Combination of FBP enzyme inhibitor and antidiabetic agent for treating diabetes | METABASIS THERAPEUTICS INC (US) | 2005-03-23 | — | — | CN | disclosed |
| CN-1434828-A | Novel bisaminophosphonate prodrugs | METABASIS THERAPEUTICS INC (US) | 2003-08-06 | — | — | CN | disclosed |
| CN-1326459-A | Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase | METABASIS THERAPEUTICS INC (US) | 2001-12-12 | — | — | CN | disclosed |