⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460973 | 0.81 | — | — | |
| SCHEMBL2343048 | 0.78 | MEN1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL2339828 | 0.76 | MEN1 (0.39) | — | |
| SCHEMBL4566878 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL87764 | 0.73 | — | — | |
| SCHEMBL1557949 | 0.71 | CA12 (0.42) | — | |
| SCHEMBL20819248 | 0.71 | TDP1 (0.41) | — | |
| SCHEMBL28560163 | 0.70 | — | — | |
| SCHEMBL4243340 | 0.70 | — | — | |
| Bromide SCHEMBL9820146 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3088401-A1 | (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2016-11-02 | — | — | EP | disclosed |
| WO-2015098853-A1 | (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND | エーザイ・アール・アンド・ディー・マネジメント株式会社 | 2015-07-02 | — | — | WO | disclosed |
| EP-2212330-B1 | NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) | CHOONGWAE PHARMA CORP (KR) | 2015-04-08 | — | — | EP | disclosed |
| EP-2212329-B1 | NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) | CHOONGWAE PHARMA CORP (KR) | 2014-07-30 | — | — | EP | disclosed |
| US-8664409-B2 | Process for the preparation of (poly) aminoalkylaminoacetamide derivatives of epipodophyllotoxin useful for their applications in therapeutics as anticancer agent | PIERRE FABRE MEDICAMENT (FR) | 2014-03-04 | — | — | US | disclosed |
| EP-2628741-A2 | NOVEL COMPOUND OF A REVERSE-TURN MIMETIC AND A PRODUCTION METHOD AND USE THEREFOR | JW Pharmaceutical Corporation (KR) | 2013-08-21 | — | — | EP | disclosed |
| US-8148552-B2 | Process for the synthesis of anticancer (poly) aminoalkylaminoacetamide derivatives of epipodophyllotoxin | PIERRE FABRE MEDICAMENT (FR) | 2012-04-03 | — | — | US | disclosed |
| US-20100280263-A1 | Process for the Synthesis of Anticancer (Poly) Aminoalkylaminoacetamide Derivatives of Epipodophyllotoxin | PIERRE FABRE MEDICAMENT (FR) | 2010-11-04 | — | — | US | disclosed |