⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL379841 | 0.80 | — | — | |
| SCHEMBL83830 | 0.78 | TP53 (0.57) | — | |
| SCHEMBL715386 | 0.78 | TP53 (0.57) | — | |
| SCHEMBL812166 | 0.78 | TP53 (0.57) | — | |
| SCHEMBL812149 | 0.78 | TP53 (0.57) | — | |
| SCHEMBL13310465 | 0.78 | TP53 (0.57) | — | |
| SCHEMBL23030253 | 0.78 | CYP2C19 (0.59) | — | |
| SCHEMBL19972184 | 0.76 | — | — | |
| SCHEMBL8484293 | 0.76 | — | — | |
| SCHEMBL14595121 | 0.75 | ALDH1A1 (0.42) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59134748-A | — | — | None | — | — | JP | disclosed |
| JP-59157051-A | — | — | None | — | — | JP | disclosed |
| CN-105440042-B | A kind of synthetic method of PP796 intermediates pyrimidine triazole | 马鞍山德鸿生物技术有限公司 | 2018-05-04 | — | — | CN | disclosed |
| CN-104151397-A | Novel thiabicyclo organic arsenide compound and synthesis method thereof, as well as application in anti-tumor field | UNIV BEIJING | 2014-11-19 | — | — | CN | disclosed |
| CN-103974959-A | Hydrolysable silanes | DOW CORNING | 2014-08-06 | — | — | CN | disclosed |
| US-20030027938-A1 | Synthesis of energetic polyester thermoplastic homopolymers and energetic thermoplastic elastomers formed therefrom | DEPARTMENT OF NATIONAL DEFENCE (CA) | 2003-02-06 | — | — | US | disclosed |
| EP-1229009-A1 | Synthesis of energetic polyester thermoplastic homopolymers and energetic thermoplastic elastomers formed therefrom | Department of National Defence (CA) | 2002-08-07 | — | — | EP | disclosed |
| US-20020103307-A1 | SYNTHESIS OF ENERGETIC POLYESTER THERMOPLASTIC HOMOPOLYMERS AND ENERGETIC THERMOPLASTIC ELASTOMERS FORMED THEREFROM | NATIONAL DEFENCE, DEPARTMENT OF (CA) | 2002-08-01 | — | — | US | disclosed |
| US-6417290-B1 | POLY(A-AZIDOMETHYL-A-METHYL-B-PROPIOLACTONE); PROPELLANTS, EXPLOSIVES | DEPARTMENT OF NATIONAL DEFENCE (CA) | 2002-07-09 | — | — | US | disclosed |
| EP-1177182-A1 | NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS | Ciba SC Holding AG (CH) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000068218-A1 | NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2000-11-16 | — | — | WO | disclosed |
| WO-1991007405-A1 | SALTS OF 3-AZABICYCLO[3.3.1]NONANES AS ANTIARRHYTHMIC AGENTS, AND PRECURSORS THEREOF | THE BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY (US) | 1991-05-30 | — | — | WO | disclosed |
| JP-S59157051-A | BETA-OXY-ALPHA-METHYLENEPROPIONIC ACID | DAICEL CHEM IND LTD | 1984-09-06 | — | — | JP | disclosed |
| JP-S59134748-A | BETA-SUBSTITUTED-ALPHA-METHYLENEPROPIONIC ACID ESTER | DAICEL CHEM IND LTD | 1984-08-02 | — | — | JP | disclosed |