⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7649827 | 0.83 | — | — | |
| Butane SCHEMBL712996 | 0.78 | — | — | |
| Butane SCHEMBL27301811 | 0.78 | ALDH1A1 (0.30) | — | |
| Butane SCHEMBL11429688 | 0.76 | — | — | |
| Butane SCHEMBL10634592 | 0.76 | TSHR (0.35) | — | |
| Butane SCHEMBL8769360 | 0.76 | — | — | |
| Butane SCHEMBL472717 | 0.75 | CES2 (0.35) | — | |
| Butane SCHEMBL729837 | 0.75 | — | — | |
| Butane SCHEMBL11209036 | 0.75 | CES2 (0.35) | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL26482 | 0.75 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2499146-B1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2016-09-21 | — | — | EP | disclosed |
| CN-102945800-B | The rear deposition encapsulating of nanostructure: composition, device and comprise their system | SANDISK CORP. (US) | 2016-01-06 | — | — | CN | disclosed |
| US-9073940-B2 | Tricyclic pyrazol amine derivatives | MERCK SERONO SA (CH) | 2015-07-07 | — | — | US | disclosed |
| CN-102054527-B | Post-deposition encapsulation of nanostructures: compositions, devices and systems incorporating same | SANDISK CORP | 2014-03-26 | — | — | CN | disclosed |
| CN-1668288-B | Compounds with antiparasitic activity and medicaments containing them | CENTRE NAT RECH SCIENT | 2013-07-17 | — | — | CN | disclosed |
| CN-102079729-B | Compounds with antiparasitic activity and medicaments containing them | CENTRE NAT RECH SCIENT | 2013-04-24 | — | — | CN | disclosed |
| CN-102945800-A | Post-deposition encapsulation of nanostructures: compositions, devices and systems incorporating same | NANOSYS INC | 2013-02-27 | — | — | CN | disclosed |
| CN-101426639-B | Post-deposition encapsulation of nanostructures compositions, devices, and systems comprising the same | NANOSYS INC | 2012-11-14 | — | — | CN | disclosed |
| US-20120238545-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2012-09-20 | — | — | US | disclosed |
| EP-2499146-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | Merck Serono S.A. (CH) | 2012-09-19 | — | — | EP | disclosed |
| CN-1599612-A | Combination of FBP enzyme inhibitor and antidiabetic agent for treating diabetes | METABASIS THERAPEUTICS INC (US) | 2005-03-23 | — | — | CN | disclosed |
| EP-1220851-B1 | CARBON DIOXIDE-PHILIC COMPOUNDS AND METHODS OF SYNTHESIS THEREOF | UNIV PITTSBURGH (US) | 2004-08-18 | — | — | EP | disclosed |
| US-20040158013-A1 | Carbon dioxide-philic compounds and methods of synthesis thereof | BECKMAN ERIC J (US) | 2004-08-12 | — | — | US | disclosed |
| US-20040072865-A1 | Aryl piperidine derivatives as inducers of ldl-receptor expression | SMITHKLINE BEECHAM CORPORATION | 2004-04-15 | — | — | US | disclosed |
| US-6686438-B1 | REACTING THE CO2-PHOBIC COMPOUND WITH A CO2-PHILIC COMPOUND, WHEREIN THE CO2-PHILIC COMPOUND IS A POLYETHER SUBSTITUTED WITH AT LEAST ONE SIDE GROUP INCORPORATING A LEWIS BASE | UNIVERSITY OF PITTSBURGH | 2004-02-03 | — | — | US | disclosed |
| EP-1351935-A1 | ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION | GLAXO GROUP LIMITED (GB) | 2003-10-15 | — | — | EP | disclosed |
| EP-1220851-A4 | CARBON DIOXIDE-PHILIC COMPOUNDS AND METHODS OF SYNTHESIS THEREOF | UNIV PITTSBURGH (US) | 2003-01-08 | — | — | EP | disclosed |
| WO-2002055495-A1 | ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION | GLAXO GROUP LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |
| EP-1220851-A1 | CARBON DIOXIDE-PHILIC COMPOUNDS AND METHODS OF SYNTHESIS THEREOF | UNIVERSITY OF PITTSBURGH (US) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001021616-A1 | CARBON DIOXIDE-PHILIC COMPOUNDS AND METHODS OF SYNTHESIS THEREOF | UNIVERSITY OF PITTSBURGH (US) | 2001-03-29 | — | — | WO | disclosed |