⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL28223965 | 0.96 | ALDH1A1 (0.77) | — | |
| Butanone SCHEMBL8811911 | 0.96 | — | — | |
| Butanone SCHEMBL28287849 | 0.93 | ALDH1A1 (0.71) | — | |
| Butanone SCHEMBL77322 | 0.92 | — | — | |
| Butanone SCHEMBL1039820 | 0.91 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL27495689 | 0.91 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1310 | 0.91 | — | — | |
| Butanone SCHEMBL8379087 | 0.91 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1510153 | 0.91 | — | — | |
| Butanone SCHEMBL3717283 | 0.88 | ALDH1A1 (0.77) | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115957737-A | Ultrahigh-specific-surface-area mesoporous carbon material catalyst, preparation method thereof and butanone-ethylene ketal synthesis method | 中国石油化工股份有限公司 | 2023-04-14 | — | — | CN | claimed |
| CN-115772149-A | Preparation method of anthracycline drug intermediate | 山东新时代药业有限公司 | 2023-03-10 | — | — | CN | claimed |
| CN-113801089-A | Preparation method of Cliborol intermediate | 鲁南制药集团股份有限公司 | 2021-12-17 | — | — | CN | claimed |
| CN-105541326-B | Preparation method of zirconia ceramic sheet | 东莞信柏结构陶瓷股份有限公司 | 2018-05-15 | — | — | CN | claimed |
| CN-102451756-B | Loaded zinc trifluoromethanesulfonate catalyst, its preparation method, and preparation method of butanone-glycol ketal | CHINA PETROLEUM & CHEMICAL | 2013-11-06 | — | — | CN | claimed |
| CN-102451756-A | Loaded zinc trifluoromethanesulfonate catalyst, its preparation method, and preparation method of butanone-glycol ketal | CHINA PETROLEUM & CHEMICAL | 2012-05-16 | — | — | CN | claimed |
| CN-115957737-A | Ultrahigh-specific-surface-area mesoporous carbon material catalyst, preparation method thereof and butanone-ethylene ketal synthesis method | 中国石油化工股份有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-115957737-A | Ultrahigh-specific-surface-area mesoporous carbon material catalyst, preparation method thereof and butanone-ethylene ketal synthesis method | 中国石油化工股份有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-115957737-A | Ultrahigh-specific-surface-area mesoporous carbon material catalyst, preparation method thereof and butanone-ethylene ketal synthesis method | 中国石油化工股份有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-115779463-A | Ketal synthesis reaction device and production method | 中国科学院大连化学物理研究所 | 2023-03-14 | — | — | CN | disclosed |
| CN-115772149-A | Preparation method of anthracycline drug intermediate | 山东新时代药业有限公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-115772149-A | Preparation method of anthracycline drug intermediate | 山东新时代药业有限公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-115770526-A | Ketone alcohol dehydration condensation reaction device and method | 中国科学院大连化学物理研究所 | 2023-03-10 | — | — | CN | disclosed |
| CN-101602012-B | Mesoporous material containing aromatic hydrocarbon sulfonic acid groups as well as preparation method and application thereof | CHINA PETROLEUM & CHEMICAL | 2012-04-18 | — | — | CN | disclosed |
| CN-100590149-C | Curable resin composition and moisture-curing adhesive composition | KONISHI CO LTD | 2010-02-17 | — | — | CN | disclosed |
| CN-101602012-A | Contain mesoporous material of aromatic hydrocarbon sulfonic acid groups and its production and application | CHINA PETROLEUM & CHEMICAL (CN) | 2009-12-16 | — | — | CN | disclosed |
| CN-1823139-A | Curable resin composition and moisture-curing adhesive composition | KONISHI CO LTD (JP) | 2006-08-23 | — | — | CN | disclosed |
| EP-0580308-B1 | Working fluid composition for refrigeration machine | KAO CORP (JP) | 2000-11-15 | — | — | EP | disclosed |
| US-5395544-A | Ester-containing working fluid composition for refrigerating machine | KAO CORPORATION (JP) | 1995-03-07 | — | — | US | disclosed |
| EP-0580308-A1 | Working fluid composition for refrigeration machine | KAO CORPORATION (JP) | 1994-01-26 | — | — | EP | disclosed |