⚠ 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 | |
|---|---|---|---|---|
| Cyclooctanol SCHEMBL8732936 | 0.96 | TSHR (0.91) | — | |
| Cyclohexanol SCHEMBL8503956 | 0.96 | TSHR (0.91) | — | |
| SCHEMBL2193805 | 0.96 | TSHR (0.91) | — | |
| SCHEMBL11948482 | 0.96 | TSHR (0.91) | — | |
| SCHEMBL653885 | 0.96 | TSHR (0.91) | — | |
| SCHEMBL23121456 | 0.96 | TSHR (0.91) | — | |
| Cyclooctanol SCHEMBL40903 | 0.96 | — | — | |
| SCHEMBL811883 | 0.96 | TSHR (0.91) | — | |
| Cyclohexanol SCHEMBL5545 | 0.96 | — | — | |
| SCHEMBL11948880 | 0.96 | TSHR (0.91) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2835398-B1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM & HAAS (US) | 2016-01-13 | — | — | EP | claimed |
| CN-104341983-B | Solidification composition filling of one cooking-pot type living things catalysis peroxide-mediated and preparation method thereof | 罗门哈斯公司 | 2018-06-12 | — | — | CN | disclosed |
| EP-2835398-B1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM & HAAS (US) | 2016-01-13 | — | — | EP | disclosed |
| US-9150751-B2 | One pot biocatalytic peroxide mediated cure | ROHM AND HAAS COMPANY (US) | 2015-10-06 | — | — | US | disclosed |
| EP-2835398-A1 | One pot biocatalytic peroxide mediated cure | Rohm and Haas Company (US) | 2015-02-11 | — | — | EP | disclosed |
| US-20150038639-A1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM AND HAAS COMPANY | 2015-02-05 | — | — | US | disclosed |
| EP-0568337-A2 | Integrated process for epoxide production involving hydrogen peroxide oxidation on a titanium silicazite catalyst | ARCO Chemical Technology, L.P. (US) | 1993-11-03 | — | — | EP | disclosed |
| US-5214168-A | Air oxidation of secondary alcohol to produce oxidant mixture, epoxidation, regeneration | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1993-05-25 | — | — | US | disclosed |
| US-4157346-A | Catalytic epoxidation of alkylene compounds | OLIN CORPORATION (US) | 1979-06-05 | — | — | US | disclosed |
| US-3960954-A | FROM A PRIMARY AMINE AND AN ORGANIC HYDROPEROXIDE, CATALYSIS | HALCON INTERNATIONAL, INC. (US) | 1976-06-01 | — | — | US | disclosed |
| US-3956397-A | Process for extracting cycloaliphatic hydroperoxides | RHONE-POULENC INDUSTRIES (FR) | 1976-05-11 | — | — | US | disclosed |
| US-3931249-A | Epoxidation using phthalocyanine catalysts | CELANESE CORPORATION (US) | 1976-01-06 | — | — | US | disclosed |