⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL28692176 | 0.95 | — | — | |
| Cyclohexene SCHEMBL3011588 | 0.90 | TP53 (0.30) | — | |
| Cyclopentene SCHEMBL27587980 | 0.90 | — | — | |
| Cyclohexene SCHEMBL8167620 | 0.89 | ALDH1A1 (0.32) | — | |
| Cyclohexene SCHEMBL3005 | 0.89 | — | — | |
| SCHEMBL9512110 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL18687055 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL9780488 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL117656 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL117657 | 0.89 | ALDH1A1 (0.32) | — |
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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109999821-B | Preparation and application of surface-treated aluminum alloy catalyst | 内蒙古工业大学 | 2021-11-16 | — | — | CN | claimed |
| US-20170283352-A1 | METHOD FOR PRODUCING AN AROMA SUBSTANCE | BASF SE (DE) | 2017-10-05 | — | — | US | claimed |
| US-20170275225-A1 | METHOD FOR THE PREPARATION OF 2-ALKOXY CYCLOHEXANOL | BASF SE (DE) | 2017-09-28 | — | — | US | claimed |
| EP-2835398-B1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM & HAAS (US) | 2016-01-13 | — | — | EP | claimed |
| JP-6211727-A | — | — | None | — | — | JP | disclosed |
| JP-6211726-A | — | — | None | — | — | JP | disclosed |
| CN-115010637-B | Method for preparing m-dihydrobenzene | 万华化学集团股份有限公司 | 2023-09-19 | — | — | CN | disclosed |
| CN-112939765-B | Method for co-producing adipic acid and cyclohexanone oxime from cyclohexane | 湘潭大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-109999821-B | Preparation and application of surface-treated aluminum alloy catalyst | 内蒙古工业大学 | 2021-11-16 | — | — | CN | disclosed |
| CN-112939765-A | Method for co-producing adipic acid and cyclohexanone oxime from cyclohexane | 湘潭大学 | 2021-06-11 | — | — | CN | disclosed |
| CN-109574795-B | It is a kind of to produce the minimizing technology that organic peroxide is remained in epoxyalkane system | 北京水木滨华科技有限公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-109999821-A | A kind of preparation and its application of the aluminium alloy catalyst of surface treatment | 内蒙古工业大学 | 2019-07-12 | — | — | CN | disclosed |
| US-4046784-A | Boride catalyst for epoxidizing olefinic compounds | TEXACO DEVELOPMENT CORPORATION (US) | 1977-09-06 | — | — | US | disclosed |
| US-4038292-A | CALCIUM BORIDE | TEXACO DEVELOPMENT CORPORATION (US) | 1977-07-26 | — | — | US | disclosed |
| US-4038291-A | MANGANESE BORIDE | TEXACO DEVELOPMENT CORPORATION (US) | 1977-07-26 | — | — | US | disclosed |
| US-4038290-A | ALUMINUM BORIDE | TEXACO DEVELOPMENT CORPORATION (US) | 1977-07-26 | — | — | US | disclosed |
| US-4034047-A | CONDENSED POLYACRYLONITRILE TRANSITION METAL COMPLEX CATALYST | SUNTECH, INC. (US) | 1977-07-05 | — | — | US | disclosed |
| US-4033901-A | FOR OLEFIN EPOXIDATION | TEXACO INC. (US) | 1977-07-05 | — | — | US | disclosed |
| US-4022804-A | ADDITION REACTION; SULFONIC ACID BROMIDES, UNSATURATED COMPOUNDS | BASF AKTIENGESELLSCHAFT (DT) | 1977-05-10 | — | — | US | disclosed |
| US-3931249-A | Epoxidation using phthalocyanine catalysts | CELANESE CORPORATION (US) | 1976-01-06 | — | — | US | disclosed |