⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11734533 | 1.00 | ADH1A (0.41) | — | |
| Cyclononanecarbaldehyde SCHEMBL1920808 | 1.00 | ADH1A (0.41) | — | |
| SCHEMBL11341547 | 1.00 | ADH1A (0.41) | — | |
| Cyclopentanecarbaldehyde SCHEMBL14575123 | 1.00 | ADH1A (0.41) | — | |
| SCHEMBL493755 | 1.00 | ADH1A (0.41) | — | |
| SCHEMBL3036861 | 1.00 | ADH1A (0.41) | — | |
| SCHEMBL59918 | 1.00 | ADH1A (0.41) | — | |
| SCHEMBL329469 | 1.00 | ADH1A (0.41) | — | |
| Cycloundecane Carbaldehyde SCHEMBL1901240 | 1.00 | ADH1A (0.41) | — | |
| SCHEMBL3027683 | 1.00 | ADH1A (0.41) | — |
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
Appears in 3243 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117503776-A | Pharmaceutical composition and application thereof | 临港国家实验室 | 2024-02-06 | — | — | CN | claimed |
| WO-2023142725-A1 | CYCLOPROPANE SKELETON MONOPHOSPHINE LIGAND AND PALLADIUM COMPLEX THEREOF AS WELL AS PREPARATION METHOD AND USE THEREOF | 南开大学 | 2023-08-03 | — | — | WO | claimed |
| US-11655225-B2 | Antimycobacterial heterocyclic amides | CRESTONE, INC. (US) | 2023-05-23 | — | — | US | claimed |
| CN-112423746-A | Novel anti-mycobacterial heterocyclic amides | 克莱斯通公司 | 2021-02-26 | — | — | CN | claimed |
| US-20210002239-A1 | Novel Antimycobacterial Heterocyclic Amides | CRESTONE, INC. | 2021-01-07 | — | — | US | claimed |
| EP-3758697-A1 | NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES | Crestone, Inc. (US) | 2021-01-06 | — | — | EP | claimed |
| CN-108330555-B | Stone needle polyester fiber and preparation method thereof | 中科纺织研究院（青岛）有限公司 | 2020-11-24 | — | — | CN | claimed |
| CN-108383733-B | Diamine monomer containing tertiary butyl and aliphatic ring, preparation and application thereof | 上海交通大学 | 2020-11-24 | — | — | CN | claimed |
| CN-110023267-A | composition for inorganic binder | 巴斯夫欧洲公司 | 2019-07-16 | — | — | CN | claimed |
| EP-2752419-B1 | SPIROBENZYLAMINE-PHOSPHINE, PREPARATION METHOD THEREFOR AND USE THEREOF | ZHEJIANG JIUZHOU PHARM CO LTD (CN) | 2019-01-02 | — | — | EP | claimed |
| WO-1995006030-A1 | HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1995-03-02 | — | — | WO | claimed |
| WO-1994004492-A1 | HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1994-03-03 | — | — | WO | claimed |
| CN-1046736-A | Produce improving one's methods of 1-positive dodecyl aza cyclohepta-2-ketone | UNIV BEIJING NORMAL (CN) | 1990-11-07 | — | — | CN | claimed |
| US-4727079-A | Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides | UNIVERSITY OF FLORIDA (US) | 1988-02-23 | — | — | US | claimed |
| US-4402981-A | ANTIULCER AGENT | KALI-CHEMIE PHARMA, GMBH (DE) | 1983-09-06 | — | — | US | claimed |
| US-4269773-A | CEPHALOSPORINS | SHIONOGI & CO., LTD. (JP) | 1981-05-26 | — | — | US | claimed |
| US-4267340-A | BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-05-12 | — | — | US | claimed |
| US-4020059-A | Process for preparing tertiary amines | NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) | 1977-04-26 | — | — | US | claimed |
| US-4009159-A | PENICILLINS | FUJISAWA PHARMACEUTICAL CO., LTD. (JA) | 1977-02-22 | — | — | US | claimed |
| US-3993646-A | Process for the ring expansion of penicillins to cephalosporin compounds | FUJISAWA PHARMACEUTICAL CO., LTD. (JA) | 1976-11-23 | — | — | US | claimed |