⚠ 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL5982027 | 0.95 | — | — | |
| SCHEMBL331 | 0.84 | — | — | |
| Water SCHEMBL647336 | 0.84 | — | — | |
| SCHEMBL4133917 | 0.84 | — | — | |
| SCHEMBL3648065 | 0.84 | — | — | |
| SCHEMBL28305381 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7121633 | 0.78 | — | — | |
| SCHEMBL27509800 | 0.78 | — | — | |
| SCHEMBL1567 | 0.78 | — | — | |
| Water SCHEMBL645100 | 0.78 | — | — |
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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110668952-B | Preparation method of benzphetamine hydrochloride | 安徽贝克制药股份有限公司 | 2023-06-27 | — | — | CN | claimed |
| CN-116239476-A | Preparation method of selegiline hydrochloride isomer | 安徽贝克制药股份有限公司 | 2023-06-09 | — | — | CN | claimed |
| CN-110655466-B | Preparation method of benzphetamine hydrochloride | 安徽贝克制药股份有限公司 | 2023-02-24 | — | — | CN | claimed |
| CN-110642721-B | Preparation method of selegiline hydrochloride | 安徽贝克生物制药有限公司 | 2022-09-30 | — | — | CN | claimed |
| CN-110668951-B | Synthesis process of selegiline hydrochloride | 安徽贝克生物制药有限公司 | 2022-09-30 | — | — | CN | claimed |
| CN-110668952-A | Preparation method of benzphetamine hydrochloride | 安徽贝克联合制药有限公司 | 2020-01-10 | — | — | CN | claimed |
| CN-110668951-A | Synthesis process of selegiline hydrochloride | 安徽贝克生物制药有限公司 | 2020-01-10 | — | — | CN | claimed |
| CN-110655466-A | Preparation method of benzphetamine hydrochloride | 安徽贝克联合制药有限公司 | 2020-01-07 | — | — | CN | claimed |
| CN-110642721-A | Preparation method of selegiline hydrochloride | 安徽贝克生物制药有限公司 | 2020-01-03 | — | — | CN | claimed |
| CN-1939898-B | Chiral synthesis of combined protein deacetylated enzyme inhibitor | SHANGHAI INST MATERIA MEDICA | 2010-10-13 | — | — | CN | claimed |
| CN-1939898-A | Chiral synthesis of combined protein deacetylated enzyme inhibitor | SHANGHAI DRUG INST CHINESE ACA (CN) | 2007-04-04 | — | — | CN | claimed |
| CN-117658838-A | Novel method for synthesizing sarcosine | 青岛科技大学 | 2024-03-08 | — | — | CN | disclosed |
| CN-110668952-B | Preparation method of benzphetamine hydrochloride | 安徽贝克制药股份有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-116239476-A | Preparation method of selegiline hydrochloride isomer | 安徽贝克制药股份有限公司 | 2023-06-09 | — | — | CN | disclosed |
| CN-110655466-B | Preparation method of benzphetamine hydrochloride | 安徽贝克制药股份有限公司 | 2023-02-24 | — | — | CN | disclosed |
| US-4628089-A | CHEMICAL INTERMEDIATES, ENZYME INHIBITORS, LEUKEMIA | SOUTHERN RESEARCH INSTITUTE (US) | 1986-12-09 | — | — | US | disclosed |
| US-4536575-A | INTERMEDIATES FOR 5-DEAZA ANALOGS OF FOLIC ACID, ANTICARCINOGENIC AGENTS; LEUKEMIA | SOUTHERN RESEARCH INSTITUTE (US) | 1985-08-20 | — | — | US | disclosed |
| US-4526964-A | Intermediates useful in producing 5-deaza analogs of folic acid and aminopterin | SOUTHERN RESEARCH INSTITUTE (US) | 1985-07-02 | — | — | US | disclosed |
| US-4431805-A | ANTICARCINOGENIC AGENTS; LEUKEMIA; REDUCTASE INHIBITORS; FOLIC ACID ANTAGONISTS | SOUTHERN RESEARCH INSTITUTE (US) | 1984-02-14 | — | — | US | disclosed |
| EP-0075880-A2 | Pyrido (2,3-d) pyrimidines | Southern Research Institute (US) | 1983-04-06 | — | — | EP | disclosed |