⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL2812401 | 1.00 | TRPA1 (0.33) | — | |
| Butadiene SCHEMBL1463631 | 1.00 | — | — | |
| Cyclohexane SCHEMBL2319090 | 0.85 | ALDH1A1 (0.31) | — | |
| Cyclohexane SCHEMBL8853219 | 0.82 | — | — | |
| Butadiene SCHEMBL11854764 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 0.79 | — | — | |
| Butadiene SCHEMBL11480793 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.79 | — | — | |
| Butadiene SCHEMBL22470614 | 0.76 | ALDH1A1 (0.57) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014190398-A1 | INHIBITION OF AMYLOID FIBRIL FORMATION | THE UNIVERSITY OF MELBOURNE (AU) | 2014-12-04 | — | — | WO | claimed |
| EP-2912027-B1 | NOVEL EPOXIDE COMPOUNDS: 1,3-DIOXIRANYLCYCLOPENTANE DERIVATIVES | BLUE CUBE IP LLC (US) | 2019-09-11 | — | — | EP | disclosed |
| US-9505731-B2 | Epoxide compound | BLUE CUBE IP LLC (US) | 2016-11-29 | — | — | US | disclosed |
| EP-2912027-A1 | NOVEL EPOXIDE COMPOUNDS: 1,3-DIOXIRANYLCYCLOPENTANE DERIVATIVES | Dow Global Technologies LLC (US) | 2015-09-02 | — | — | EP | disclosed |
| US-20150225359-A1 | NOVEL EPOXIDE COMPOUND | BLUE CUBE IP LLC | 2015-08-13 | — | — | US | disclosed |
| WO-2014190398-A1 | INHIBITION OF AMYLOID FIBRIL FORMATION | THE UNIVERSITY OF MELBOURNE (AU) | 2014-12-04 | — | — | WO | disclosed |
| WO-2014066717-A1 | NOVEL EPOXIDE COMPOUNDS: 1,3-DIOXIRANYLCYCLOPENTANE DERIVATIVES | DOW GLOBAL TECHNOLOGIES LLC (US) | 2014-05-01 | — | — | WO | disclosed |
| EP-1655321-B1 | POLYMERIZABLE COMPOSITIONS AND MOLDED ARTICLES PRODUCED BY USING THE SAME | ZEON CORP (JP) | 2012-11-21 | — | — | EP | disclosed |
| US-7381782-B2 | Polymerizable composition and molded articles produced by using the same | ZEON CORPORATION (JP) | 2008-06-03 | — | — | US | disclosed |
| US-20060258828-A1 | Polymerizable composition and molded articles produced by using the same | ZEON CORPORATION (JP) | 2006-11-16 | — | — | US | disclosed |
| EP-1655321-A1 | POLYMERIZABLE COMPOSITIONS AND MOLDED ARTICLES PRODUCED BY USING THE SAME | Zeon Corporation (JP) | 2006-05-10 | — | — | EP | disclosed |