⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18266296 | 1.00 | — | — | |
| SCHEMBL2352265 | 0.78 | — | — | |
| SCHEMBL1784026 | 0.77 | — | — | |
| SCHEMBL14390500 | 0.74 | — | — | |
| SCHEMBL14041403 | 0.74 | — | — | |
| SCHEMBL11070297 | 0.74 | — | — | |
| SCHEMBL14762295 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL1338777 | 0.69 | — | — | |
| SCHEMBL716158 | 0.67 | — | — | |
| SCHEMBL4468016 | 0.67 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104693016-A | Method for preparing 4-methylbenzaldehyde from isoprene and acrolein | DALIAN CHEMICAL PHYSICS INST | 2015-06-10 | — | — | CN | claimed |
| EP-2808316-B1 | METHOD FOR PRODUCING p-XYLENE AND/OR p-TOLUALDEHYDE | TORAY INDUSTRIES (JP) | 2018-09-05 | — | — | EP | disclosed |
| CN-104693016-A | Method for preparing 4-methylbenzaldehyde from isoprene and acrolein | DALIAN CHEMICAL PHYSICS INST | 2015-06-10 | — | — | CN | disclosed |
| US-9024074-B2 | Method for producing p-xylene and/or p-tolualdehyde | TORAY INDUSTRIES, INC. (JP) | 2015-05-05 | — | — | US | disclosed |
| US-20140378710-A1 | METHOD FOR PRODUCING P-XYLENE AND/OR P-TOLUALDEHYDE | TORAY INDUSTRIES, INC. (JP) | 2014-12-25 | — | — | US | disclosed |
| EP-2808316-A1 | METHOD FOR PRODUCING p-XYLENE AND/OR p-TOLUALDEHYDE | Toray Industries, Inc. (JP) | 2014-12-03 | — | — | EP | disclosed |
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |
| WO-2008140810-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-11-20 | — | — | WO | disclosed |
| US-7196221-B2 | Reaction product of quaternary ammonium salt and metal compound; electrolyte, catalyst | SCIONIX LIMITED (GB) | 2007-03-27 | — | — | US | disclosed |
| US-7196221-B2 | Reaction product of quaternary ammonium salt and metal compound; electrolyte, catalyst | SCIONIX LIMITED (GB) | 2007-03-27 | — | — | US | disclosed |
| US-6015873-A | RAW MATERIALS FOR PHENOLIC AND EPOXY RESINS, CURING AGENTS FOR EPOXY RESINS | SHELL OIL COMPANY (US) | 2000-01-18 | — | — | US | disclosed |