⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3937352 | 0.85 | MAPT (0.40) | — | |
| SCHEMBL14632112 | 0.77 | TLR4 (0.33) | — | |
| SCHEMBL17653496 | 0.69 | — | — | |
| SCHEMBL17108508 | 0.69 | MT-CO2 (0.39) | — | |
| SCHEMBL13933099 | 0.69 | — | — | |
| SCHEMBL7054910 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL19439807 | 0.67 | PTPN1 (0.58) | — | |
| SCHEMBL14381645 | 0.67 | CRBN (0.36) | — | |
| SCHEMBL18465887 | 0.66 | BRD4 (0.32) | — | |
| SCHEMBL12697758 | 0.66 | CES2 (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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011048114-A1 | METHOD FOR THE DIFFERENTIATION BETWEEN CROHN'S DISEASE AND ULCERATIVE COLITIS BY DETECTING VOLATILE ORGANIC COMPOUNDS IN EXHALED AIR | UNIVERSITEIT MAASTRICHT (NL) | 2011-04-28 | — | — | WO | claimed |
| EP-2315029-A1 | Method for the differentiation between Crohn's disease and ulcerative colitis by detecting volatile organic compounds in exhaled air. | Universiteit Maastricht (NL) | 2011-04-27 | — | — | EP | claimed |
| US-4029106-A | TOBACCO, 3-ISOPROPYL-CYCLOPENT-2-EN-1-ONE | FIRMENICH S.A. (CH) | 1977-06-14 | — | — | US | claimed |
| US-3937228-A | Aromatic compositions | FIRMENICH SA (CH) | 1976-02-10 | — | — | US | claimed |
| JP-54103853-A | — | — | None | — | — | JP | disclosed |
| JP-54103810-A | — | — | None | — | — | JP | disclosed |
| US-20230365553-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY | NOVARTIS PHARMA AG (CH) | 2023-11-16 | — | — | US | disclosed |
| US-20230365553-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY | NOVARTIS PHARMA AG (CH) | 2023-11-16 | — | — | US | disclosed |
| EP-3088955-B1 | RESIST COMPOSITION AND PATTERNING PROCESS | SHINETSU CHEMICAL CO (JP) | 2020-06-03 | — | — | EP | disclosed |
| US-9505765-B2 | 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds as TAK1 inhibitors in disease treatment | CONFLUENCE LIFE SCIENCES INC. (US) | 2016-11-29 | — | — | US | disclosed |
| US-20160296509-A1 | NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2016-10-13 | — | — | US | disclosed |
| US-20160296509-A1 | NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2016-10-13 | — | — | US | disclosed |
| US-4029106-A | TOBACCO, 3-ISOPROPYL-CYCLOPENT-2-EN-1-ONE | FIRMENICH S.A. (CH) | 1977-06-14 | — | — | US | disclosed |
| US-4014350-A | CARYOPHYLLENE EPOXIDE AND ITS ALCOHOLS; FLAVORINGS FOR TOBACCO, FOODSTUFFS AND DRUGS | FIRMENICH S.A. (CH) | 1977-03-29 | — | — | US | disclosed |
| US-4009196-A | HYPOTENSIVE AGENTS, BRONCHODILATORS, PROSTAGLANDIN ANALOGS | TEIJIN LIMITED (JA) | 1977-02-22 | — | — | US | disclosed |
| US-3989857-A | Flavoring phenol or phenol derivative containing food or feed with cycloaliphatic derivatives | FIRMENICH S.A. (CH) | 1976-11-02 | — | — | US | disclosed |
| US-3983885-A | AROMATIC COMPOSITIONS | FIRMENICH S.A. (CH) | 1976-10-05 | — | — | US | disclosed |
| US-3981311-A | Aromatic compositions | FIRMENICH S.A. (CH) | 1976-09-21 | — | — | US | disclosed |
| US-3957061-A | Aromatic compositions | FIRMENICH S.A. (CH) | 1976-05-18 | — | — | US | disclosed |
| US-3937228-A | Aromatic compositions | FIRMENICH SA (CH) | 1976-02-10 | — | — | US | disclosed |