⚠ 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 | |
|---|---|---|---|---|
| Isobutyraldehyde SCHEMBL10892494 | 0.83 | TP53 (0.31) | — | |
| SCHEMBL1577602 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6987469 | 0.78 | — | — | |
| SCHEMBL6279291 | 0.75 | — | — | |
| SCHEMBL7974761 | 0.75 | — | — | |
| SCHEMBL7713529 | 0.73 | — | — | |
| SCHEMBL1782870 | 0.72 | — | — | |
| SCHEMBL8503591 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL11007067 | 0.72 | — | — | |
| SCHEMBL11820238 | 0.72 | — | — |
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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116986972-A | Preparation method of 2, 4-tetramethyl-1, 3-cyclobutanediol | 苏州亚科科技股份有限公司 | 2023-11-03 | — | — | CN | claimed |
| CN-112592468-B | Preparation process of flame-retardant polyester resin and application of flame-retardant polyester resin in flame-retardant coating | 宁波顺声通讯设备有限公司 | 2021-08-27 | — | — | CN | claimed |
| US-20210147366-A1 | PROCESS FOR PREPARATION OF 2,2-DIMETHYLPIPERAZINE | H. LUNDBECK A/S (DK) | 2021-05-20 | — | — | US | claimed |
| CN-112592468-A | Preparation process of flame-retardant polyester resin and application of flame-retardant polyester resin in flame-retardant coating | 吴春秋 | 2021-04-02 | — | — | CN | claimed |
| EP-3774742-A1 | PROCESS FOR THE PREPARATION OF 2,2-DIMETHYLPIPERAZINE | H. Lundbeck A/S (DK) | 2021-02-17 | — | — | EP | claimed |
| CN-111868041-A | Process for the preparation of 2, 2-dimethylpiperazine | H.隆德贝克有限公司 | 2020-10-30 | — | — | CN | claimed |
| WO-2019193134-A1 | PROCESS FOR THE PREPARATION OF 2,2-DIMETHYLPIPERAZINE | H. LUNDBECK A/S (DK) | 2019-10-10 | — | — | WO | claimed |
| CN-103265608-B | Solanidine type glycoalkaloid and convergent synthesis method thereof | OCEAN UNIV CHINA | 2015-04-22 | — | — | CN | claimed |
| CN-103275169-A | Furostanol saponins and synthesis method thereof | OCEAN UNIV CHINA | 2013-09-04 | — | — | CN | claimed |
| CN-103275133-A | Synthetic method of beta-D-oligomannuronate or glucoside | OCEAN UNIV CHINA | 2013-09-04 | — | — | CN | claimed |
| CN-102653573-A | Anti-adsorption and long-circulation lipid molecule, preparation method and application thereof in fields of medicines and cosmetics | INST PROCESS ENG CAS | 2012-09-05 | — | — | CN | claimed |
| CN-1323785-A | Isobutyraldehyde process of synthesizing 2-methyl-2-methylthio propionaldoxime | SHANGDONG HUAYANG SCIENCE & TE (CN) | 2001-11-28 | — | — | CN | claimed |
| EP-0093255-B1 | PREPARATION OF MONO AND DIBROMO OR MONO AND DICHLORO ALDEHYDES AND ACID CHLORIDES | THE DOW CHEMICAL COMPANY (US) | 1986-01-22 | — | — | EP | claimed |
| US-4486608-A | Preparation of mono- and dibromo- or chloroaldehydes | THE DOW CHEMICAL COMPANY (US) | 1984-12-04 | — | — | US | claimed |
| EP-0093255-A2 | Preparation of mono and dibromo or mono and dichloro aldehydes and acid chlorides | THE DOW CHEMICAL COMPANY (US) | 1983-11-09 | — | — | EP | claimed |
| US-4302569-A | ADDITION POLYMERIZATION INITIATOR | ARGUS CHEMICAL CORPORATION (US) | 1981-11-24 | — | — | US | claimed |
| US-4278612-A | POLYMERIZATION CATALYSTS, STYRENE, CROSSLINKING | ARGUS CHEMICAL CORPORATION (US) | 1981-07-14 | — | — | US | claimed |
| EP-0020846-A1 | 2-Chloro-2-alkyl substituted peroxyesters | Argus Chemical Corporation (US) | 1981-01-07 | — | — | EP | claimed |
| US-4155933-A | Process for halogenation of aldehydes and production of oximes therefrom | ALLIED CHEMICAL CORPORATION (US) | 1979-05-22 | — | — | US | claimed |
| US-3931331-A | PLANT PROTECTION INTERMEDIATES | ALLIED CHEMICAL CORPORATION (US) | 1976-01-06 | — | — | US | claimed |