⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9616090 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL11687828 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL1703692 | 0.97 | — | — | |
| SCHEMBL1170496 | 0.90 | — | — | |
| SCHEMBL7671122 | 0.83 | — | — | |
| SCHEMBL3400600 | 0.80 | ALDH1A1 (0.67) | — | |
| SCHEMBL949427 | 0.73 | ALDH1A1 (0.58) | — | |
| SCHEMBL17077890 | 0.71 | ALDH1A1 (0.55) | — | |
| SCHEMBL3382967 | 0.71 | — | — | |
| SCHEMBL4136945 | 0.71 | — | — |
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 299 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117720607-A | Preparation method of high-quality prednisone acetate and intermediate thereof | 华中药业股份有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-116496175-A | Preparation method of cyclohexanone cyanohydrin | 重庆敏恒科技有限公司 | 2023-07-28 | — | — | CN | claimed |
| CN-113816964-B | Reversible ionic liquid for capturing carbon dioxide and synthesis method thereof | 中国科学院兰州化学物理研究所 | 2023-02-10 | — | — | CN | claimed |
| CN-215917364-U | Synthesis device of cyclohexanone cyanohydrin | 抚顺顺能化工有限公司 | 2022-03-01 | — | — | CN | claimed |
| CN-113754600-A | Preparation method of 1, 4-diazaspiro [5,5] undecane-3-ketone | 天津敬康生物科技有限公司 | 2021-12-07 | — | — | CN | claimed |
| CN-108178724-B | Process for the preparation of compounds | 四川大学 | 2020-09-11 | — | — | CN | claimed |
| CN-109305927-A | The preparation method of cyclohexanone cyanohydrin | 抚顺顺能化工有限公司 | 2019-02-05 | — | — | CN | claimed |
| CN-109053410-A | It is a kind of synthesize 1- hydroxy-cyclohexyl formic acid new process and application | 兰博尔开封科技有限公司 | 2018-12-21 | — | — | CN | claimed |
| CN-108178724-A | The preparation method of compound | 四川大学 | 2018-06-19 | — | — | CN | claimed |
| CN-105801651-B | A kind of synthetic method of 17 α hydroxyl progesterones | 浙江仙居君业药业有限公司 | 2018-03-06 | — | — | CN | claimed |
| US-20040024217-A1 | Synthesis of piperidine and piperazine compounds as CCR5 antagonists | SCHERING CORPORATION | 2004-02-05 | — | — | US | claimed |
| WO-2003084950-A1 | SYNTHESIS OF PIPERIDINE AND PIPERAZINE COMPOUNDS AS CCR5 ANTAGONISTS | SCHERING CORPORATION (US) | 2003-10-16 | — | — | WO | claimed |
| US-20030105131-A1 | Synthesis of 4-[(Z)-4-bromophenyl)(ethoxyimino) methyl]-1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl-1,4-'bipiperidine | SCHERING CORPORATION | 2003-06-05 | — | — | US | claimed |
| WO-2003033490-A1 | SYNTHESIS OF 4-[(Z)-(4-BROMOPHENYL)(ETHOXYIMINO)METHYL]-1'-[2,4-DIMETHYL-1-OXIDO-3-PYRIDINYL)CARBONYL]-4'METHYL-1,4'BIPIPERIDINE | SCHERING CORPORATION (US) | 2003-04-24 | — | — | WO | claimed |
| US-5834618-A | CHEMICAL INTERMEDIATE FOR PROTEASE INHIBITOR DRUG | KURARAY CO., LTD. (JP) | 1998-11-10 | — | — | US | claimed |
| EP-0510689-A1 | Hydrocyanation of pentenenitriles using cyanohydrins | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-10-28 | — | — | EP | claimed |
| US-5107012-A | Using an additive to promote dissociation of the cyanohydrin, a nickel complex catalyst and catalyst promoter; slurrying | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-04-21 | — | — | US | claimed |
| US-4695673-A | Process for the production of acylated 1,3-dicarbonyl compounds | STAUFFER CHEMICAL COMPANY (US) | 1987-09-22 | — | — | US | claimed |
| EP-0043490-B1 | PREPARATION OF ACYL CYANIDES | BAYER AG (DE) | 1983-09-28 | — | — | EP | claimed |
| US-4360479-A | Process for the preparation of acyl cyanide compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1982-11-23 | — | — | US | claimed |