⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2979207 | 0.81 | — | — | |
| SCHEMBL14889378 | 0.73 | — | — | |
| SCHEMBL14685617 | 0.72 | — | — | |
| SCHEMBL15837536 | 0.72 | — | — | |
| SCHEMBL15295078 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL20347486 | 0.71 | FKBP5 (0.36) | — | |
| SCHEMBL5513858 | 0.71 | PKM (0.33) | — | |
| SCHEMBL258147 | 0.69 | — | — | |
| SCHEMBL7739162 | 0.67 | CYP2D6 (0.32) | — | |
| SCHEMBL258288 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2215057-B1 | PROCESS FOR PRODUCING ALKYLBENZENE HYDROPEROXIDE | SUMITOMO CHEMICAL CO (JP) | 2013-07-03 | — | — | EP | disclosed |
| US-8093433-B2 | Process for producing alkylbenzene hydroperoxide | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-01-10 | — | — | US | disclosed |
| US-20100317899-A1 | PROCESS FOR PRODUCING ALKYLBENZINE HYDROPEROXIDE | SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) | 2010-12-16 | — | — | US | disclosed |
| EP-2215057-A1 | PROCESS FOR PRODUCING ALKYLBENZENE HYDROPEROXIDE | Sumitomo Chemical Company, Limited (JP) | 2010-08-11 | — | — | EP | disclosed |
| US-20090299111-A1 | (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2009-12-03 | — | — | US | disclosed |
| WO-2009057798-A1 | PROCESS FOR PRODUCING ALKYLBENZENE HYDROPEROXIDE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-05-07 | — | — | WO | disclosed |
| EP-1908743-A1 | (ALKYLPHENYL)ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL)ALKYLCYCLOHEXANE OR ALKYLBIPHENYL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2008-04-09 | — | — | EP | disclosed |