⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28087311 | 0.88 | — | — | |
| SCHEMBL9659351 | 0.86 | — | — | |
| SCHEMBL615573 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL28087249 | 0.79 | — | — | |
| SCHEMBL9812290 | 0.76 | ALOX15 (0.30) | — | |
| SCHEMBL7873488 | 0.76 | ALOX15 (0.30) | — | |
| SCHEMBL9812268 | 0.76 | ALOX15 (0.30) | — | |
| Methane SCHEMBL1176537 | 0.76 | ALOX15 (0.30) | — | |
| Methane SCHEMBL10770788 | 0.73 | — | — | |
| Methane SCHEMBL27588056 | 0.73 | — | — |
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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114805398-A | Preparation method of ecteinascidin compound | 江苏恒瑞医药股份有限公司 | 2022-07-29 | — | — | CN | claimed |
| WO-2016046833-A2 | IMPROVED PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES | SYMED LABS LIMITED (IN) | 2016-03-31 | — | — | WO | claimed |
| EP-2909166-A1 | PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES | Symed Labs Limited (IN) | 2015-08-26 | — | — | EP | claimed |
| WO-2014064706-A1 | PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES | SYMED LABS LIMITED (IN) | 2014-05-01 | — | — | WO | claimed |
| WO-2012127483-A1 | PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF N-[2-(7-METHOXY-1-NAPHTHYL) ETHYL] ACETAMIDE | SYMED LABS LIMITED (IN) | 2012-09-27 | — | — | WO | claimed |
| CN-113135855-B | Preparation method of papaverine compound | 江苏恒瑞医药股份有限公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-114805398-A | Preparation method of ecteinascidin compound | 江苏恒瑞医药股份有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-113135855-A | Preparation method of papaverine compound | 江苏恒瑞医药股份有限公司 | 2021-07-20 | — | — | CN | disclosed |
| CN-113121567-A | Method for synthesizing cyclic trispyrrole compound with intramolecular orthogonal structure | 中国科学院大学 | 2021-07-16 | — | — | CN | disclosed |
| CN-106317349-A | Styrene-isomonoolefin-styrene triblock copolymer and preparation method thereof | 中国石油化工股份有限公司 | 2017-01-11 | — | — | CN | disclosed |
| CN-106146710-A | Cationic polymerization method | 中国石油化工股份有限公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-106146697-A | Cationic polymerization method | 中国石油化工股份有限公司 | 2016-11-23 | — | — | CN | disclosed |
| EP-0019247-A1 | 16-Alpha-alkyl steroids, process for their preparation and pharmaceutical compositions containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1980-11-26 | — | — | EP | disclosed |
| US-4201717-A | 14β-Hydroxyandrostanes | HOFFMANN-LA ROCHE INC. (US) | 1980-05-06 | — | — | US | disclosed |
| US-4199530-A | 14β-Hydroxyandrostanes | HOFFMANN-LA ROCHE INC. (US) | 1980-04-22 | — | — | US | disclosed |
| US-4193878-A | 14β-Hydroxyandrostanes | HOFFMANN-LA ROCHE INC. (US) | 1980-03-18 | — | — | US | disclosed |
| US-4193940-A | 14 β-Hydroxyandrostanes | HOFFMANN-LA ROCHE INC. (US) | 1980-03-18 | — | — | US | disclosed |
| US-4154730-A | PROGESTOMIMETIC AND ANTIALDOSTERONIC AGENTS | ROUSSEL UCLAF (FR) | 1979-05-15 | — | — | US | disclosed |
| US-4134920-A | 14β-Hydroxyandrostanes | VALENTA ZDENEK | 1979-01-16 | — | — | US | disclosed |
| US-4057561-A | OVULATION INHIBITOR, ANDROGENIC, ANABOLIC | HOFFMANN-LA ROCHE INC. (US) | 1977-11-08 | — | — | US | disclosed |