⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7748971 | 0.90 | BCL2L1 (0.50) | — | |
| SCHEMBL522432 | 0.83 | HSPB1 (0.54) | — | |
| Benzoquinone SCHEMBL739813 | 0.78 | — | — | |
| SCHEMBL13499 | 0.78 | — | — | |
| SCHEMBL21831614 | 0.75 | ALDH1A1 (0.46) | — | |
| Fluoride SCHEMBL21816906 | 0.74 | CA1 (0.57) | — | |
| SCHEMBL6560890 | 0.74 | — | — | |
| Bromide SCHEMBL6770232 | 0.74 | — | — | |
| SCHEMBL15352581 | 0.70 | CYP1A2 (0.56) | — | |
| SCHEMBL15351452 | 0.68 | CYP1A2 (0.54) | — |
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 3583 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-118324804-A | Aromatic phosphonate compound and synthesis method thereof | 海南大学 | 2024-07-12 | — | — | CN | claimed |
| CN-118047707-A | Direct cross coupling method of sulfoxide ylide and aryl fluorosulfonate | 南京工业大学 | 2024-05-17 | — | — | CN | claimed |
| CN-115894486-B | Hydrogenated pyridoquinazoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2024-02-09 | — | — | CN | claimed |
| US-20240002344-A1 | COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION | FIBROGEN, INC. | 2024-01-04 | — | — | US | claimed |
| WO-2023240024-A1 | SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2023-12-14 | — | — | WO | claimed |
| CN-115073723-B | Separable catalyst and preparation method of low-molecular-weight narrow-distribution colorless poly (carbonate-ether) polyol | 中国科学院长春应用化学研究所 | 2023-10-13 | — | — | CN | claimed |
| WO-2023186691-A1 | SUBSTITUTED 2-C-AZINES AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2023-10-05 | — | — | WO | claimed |
| US-20230310454-A1 | RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME | RIGEL PHARMACEUTICALS, INC. | 2023-10-05 | — | — | US | claimed |
| CN-111433962-B | Electrolyte for nonaqueous electrolyte battery and nonaqueous electrolyte battery using same | 中央硝子株式会社 | 2023-07-14 | — | — | CN | claimed |
| EP-4204400-A1 | COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION | Fibrogen, Inc. (US) | 2023-07-05 | — | — | EP | claimed |
| EP-0012722-B1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3-SUBSTITUTED 2-(2',2'-DIHALOVINYL)-CYCLOPROPANE-1-CARBOXYLIC ACIDS AND THEIR DERIVATIVES; 4-(2',2',2'-TRIHALOETHYL)-CYCLOBUTANE-1-SULPHONIC ACID SALTS AND THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1981-12-09 | — | — | EP | claimed |
| US-4299967-A | Process for producing optically active 2-(2,2-dihalogenovinyl)-cyclopropane-1-carboxylic acids substituted in the 3-position, and derivatives thereof, as well as novel 4-(2,2,2-trihalogenoethyl)-cyclobutane-1-sulfonic acid salts | CIBA-GEIGY CORPORATION (US) | 1981-11-10 | — | — | US | claimed |
| EP-0012722-A1 | Process for the preparation of optically active 3-substituted 2-(2',2'-dihalovinyl)-cyclopropane-1-carboxylic acids and their derivatives; 4-(2',2',2'-trihaloethyl)-cyclobutane-1-sulphonic acid salts and their preparation | CIBA-GEIGY AG (CH) | 1980-06-25 | — | — | EP | claimed |
| EP-0003663-A2 | Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them | AMERICAN CYANAMID COMPANY (US) | 1979-08-22 | — | — | EP | claimed |
| US-4139620-A | HYPOTENSIVE AGENTS | A. H. ROBINS COMPANY, INC. (US) | 1979-02-13 | — | — | US | claimed |
| US-4126629-A | FERTILITY CONTROL | MERCK & CO., INC. (US) | 1978-11-21 | — | — | US | claimed |
| US-4102888-A | VASODILATORS, ANTITHROMBITIC | MERCK & CO., INC. (US) | 1978-07-25 | — | — | US | claimed |
| US-4085125-A | 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes | MERCK & CO., INC. (US) | 1978-04-18 | — | — | US | claimed |
| US-4022794-A | VASODILATION | MERCK & CO., INC. (US) | 1977-05-10 | — | — | US | claimed |
| US-4020177-A | CONTRACEPTIVES | MERCK & CO., INC. (US) | 1977-04-26 | — | — | US | claimed |