⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3408317 | 0.93 | — | — | |
| SCHEMBL8272287 | 0.93 | — | — | |
| SCHEMBL92041 | 0.93 | — | — | |
| Methyl Alcohol SCHEMBL4558081 | 0.89 | TSHR (0.32) | — | |
| Ethylene Glycol SCHEMBL27626984 | 0.88 | TSHR (0.35) | — | |
| Bicarbonate SCHEMBL28959796 | 0.85 | FFAR3 (0.33) | — | |
| Bicarbonate SCHEMBL29135929 | 0.85 | FFAR3 (0.33) | — | |
| Formaldehyde SCHEMBL27905896 | 0.84 | — | — | |
| Propylene Glycol SCHEMBL27905286 | 0.83 | TDP1 (0.53) | — | |
| Tert-Butanol SCHEMBL27523522 | 0.83 | ALDH1A1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1900713-B1 | Process for the decomposition of methyl tertiary-butyl ether | EVONIK DEGUSSA GMBH (DE) | 2015-11-18 | — | — | EP | disclosed |
| US-7919662-B2 | Isobutene is prepared by dissociation of MTBE in the gas phase; the work-up of the bottom products obtained in the fractional distillation of the dissociation product can be carried out using a column for separating high boilers from the stream which is fed to the dissociation | EVONIK OXENO GMBH (DE) | 2011-04-05 | — | — | US | disclosed |
| EP-1663916-B1 | METHOD FOR CATALYTIC DEOXYGENATION OF PROCESS FLUIDS OF OLEFIN DIMERIZATION PROCESSES | NESTE OIL OYJ (FI) | 2009-07-01 | — | — | EP | disclosed |
| EP-1900713-A1 | Process for the decomposition of methyl tertiary-butyl ether | Oxeno Olefinchemie GmbH (DE) | 2008-03-19 | — | — | EP | disclosed |
| US-20080058575-A1 | PROCESS FOR THE DISSOCIATION OF MTBE | OXENO OLEFINCHEMIE GMBH (DE) | 2008-03-06 | — | — | US | disclosed |