⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL333220 | 0.84 | — | — | |
| Isopropylamine SCHEMBL4217378 | 0.82 | — | — | |
| Chlorethanamine SCHEMBL8529874 | 0.82 | — | — | |
| Hexane SCHEMBL10952643 | 0.82 | OPRM1 (0.65) | — | |
| Butane SCHEMBL8029713 | 0.82 | — | — | |
| Isopropylamine SCHEMBL6520335 | 0.80 | — | — | |
| Isopropylamine SCHEMBL27362252 | 0.80 | — | — | |
| Chlorethanamine SCHEMBL8775962 | 0.79 | — | — | |
| Heptane SCHEMBL17633521 | 0.79 | TSHR (0.61) | — | |
| Isopropylamine SCHEMBL9697718 | 0.79 | ALDH1A1 (0.44) | — |
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 482 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114773248-B | Continuous production method and device for meropenem side chain | 湖北华洲药业有限公司 | 2023-11-03 | — | — | CN | claimed |
| CN-109810110-B | Compound with 2-aminopyrimidine structure, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-01-24 | — | — | CN | claimed |
| US-20220324838-A1 | An Improved Process Of Preparation Of Ivosidenib | ALEMBIC PHARMACEUTICALS LIMITED (IN) | 2022-10-13 | — | — | US | claimed |
| CN-112479966-B | Method for synthesizing rolipram | 南京工业大学 | 2022-05-17 | — | — | CN | claimed |
| CN-111018766-B | Method for synthesizing bimatoprost | 广州楷石医药有限公司 | 2022-04-19 | — | — | CN | claimed |
| WO-2021028791-A1 | AN IMPROVED PROCESS OF PREPARATION OF IVOSIDENIB | ALEMBIC PHARMACEUTICALS LIMITED (IN) | 2021-02-18 | — | — | WO | claimed |
| CN-109836374-B | Environment-friendly preparation method of vitamin B6 | 新发药业有限公司 | 2020-10-30 | — | — | CN | claimed |
| CN-107556296-B | 2-hydroxy-3-azacyclo chromone compound, synthetic method thereof and application thereof in antifungal drugs | 南京工业大学 | 2020-10-02 | — | — | CN | claimed |
| CN-109836373-B | Environment-friendly preparation method of vitamin B6 and tail gas recycling method | 新发药业有限公司 | 2020-10-02 | — | — | CN | claimed |
| CN-107118204-B | 3-azacyclo-thiochromanone compound, synthesis method thereof and application thereof in antifungal drugs | 南京工业大学 | 2020-07-10 | — | — | CN | claimed |
| CN-103936789-A | Quaternary phosphonium sulfonate fire retardant and synthesis method and use thereof | UNIV SHANGHAI JIAOTONG | 2014-07-23 | — | — | CN | claimed |
| CN-102731350-B | Sulfhydryl compound containing beta-ester groups and acetyl-transferred synthesis method thereof | UNIV ZHEJIANG | 2014-04-16 | — | — | CN | claimed |
| CN-103360343-A | Preparation method of piperazine amide compound | KAIHUI PHARMACEUTICAL SHANGHAI CO LTD | 2013-10-23 | — | — | CN | claimed |
| CN-102408363-B | Method for synthesizing busulfan | CHEN JIANGE | 2013-07-24 | — | — | CN | claimed |
| CN-102180868-A | Method for preparing anti-depression medicine vilazodone | SCI GENERAL MATERIAL & CHEMICAL INC | 2011-09-14 | — | — | CN | claimed |
| CN-102153751-A | Method for preparing hyperbranched polymer by adopting consecutive click chemical reaction | UNIV ZHEJIANG | 2011-08-17 | — | — | CN | claimed |
| CN-102066375-A | New trinem antibiotics and inhibitors of beta-lactamases | LEK PHARMACEUTICALS | 2011-05-18 | — | — | CN | claimed |
| CN-101068793-A | Potassium salt of an HIV integrase inhibitor | MERCK & CO INC (US) | 2007-11-07 | — | — | CN | claimed |
| CN-1556800-A | Process for the preparation of citalopram | ҩ�ﻯѧ��������˾ | 2004-12-22 | — | — | CN | claimed |
| CN-1538965-A | Fungicidal 1-benzozepan derivatives | �ݶ�ũ�ƹɷ�����˾ | 2004-10-20 | — | — | CN | claimed |