⚠ 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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL6512151 | 0.72 | — | — | |
| Isothiocyanate SCHEMBL2300025 | 0.68 | — | — | |
| Isothiocyanate SCHEMBL8940171 | 0.67 | ALDH1A1 (0.43) | — | |
| Isothiocyanate SCHEMBL133963 | 0.67 | — | — | |
| Isothiocyanate SCHEMBL4002 | 0.67 | — | — | |
| Isothiocyanate SCHEMBL331482 | 0.67 | — | — | |
| Isothiocyanate SCHEMBL20183932 | 0.62 | — | — | |
| Isothiocyanate SCHEMBL6013846 | 0.62 | — | — | |
| Isothiocyanate SCHEMBL191111 | 0.62 | — | — | |
| Isothiocyanate SCHEMBL5999870 | 0.62 | — | — |
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 18983 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 |
|---|---|---|---|---|---|---|---|
| EP-3974425-B1 | NEW FLUORESCENT DYES AND THEIR USES AS BIOMARKERS | ILLUMINA CAMBRIDGE LTD (GB) | 2024-07-10 | — | — | EP | claimed |
| US-20240218528-A1 | Microfluidic Process for the General Electrochemical Synthesis of Geminal Dipseudohalide or Halide-Pseudohalide Compounds | THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE | 2024-07-04 | — | — | US | claimed |
| CN-114641554-B | Method for improving electrochemiluminescence signal in bioassay | 苏州安赛诊断技术有限公司 | 2024-06-28 | — | — | CN | claimed |
| CN-118265692-A | Carbon nucleus cationic lipid | 厦门赛诺邦格生物科技股份有限公司 | 2024-06-28 | — | — | CN | claimed |
| CN-118206999-A | Benzothiophene or furan series liquid crystal monomer compound containing isothiocyano and application thereof | 中节能万润股份有限公司 | 2024-06-18 | — | — | CN | claimed |
| US-20240174635-A1 | TLR 9 INHIBITORS | INSILICO MEDICINE IP LIMITED (HK) | 2024-05-30 | — | — | US | claimed |
| CN-118059093-A | Inhibitors of short chain dehydrogenase activity for the treatment of fibrosis | 卡斯西部储备大学 | 2024-05-24 | — | — | CN | claimed |
| CN-116903706-B | Echinocandin medicine and preparation method and application thereof | 深圳市祥根生物有限公司 | 2024-05-17 | — | — | CN | claimed |
| WO-2024097151-A1 | ANTIBIOTIC-RESISTANT ARTIFICIAL NUCLEOSIDE, COMPOSITION AND METHOD | CLEVELAND STATE UNIVERSITY (US) | 2024-05-10 | — | — | WO | claimed |
| US-20240148744-A1 | SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES | ZOETIS LLC | 2024-05-09 | — | — | US | claimed |
| US-4101464-A | Process for preparing foamed solids using two or more azo compounds | PENNWALT CORPORATION (US) | 1978-07-18 | — | — | US | claimed |
| US-4080461-A | PESTICIDES, FUNGICIDES | SYNTEX (U.S.A.) INC. (US) | 1978-03-21 | — | — | US | claimed |
| US-4059432-A | A 2-SULFONYLOXYETHYL-PHOSPHONIC OR -THIONOPHOSPHONIC ACID DERIVATIVE | MITSUBISHI PETROCHEMICAL CO., LTD. (JA) | 1977-11-22 | — | — | US | claimed |
| US-4059431-A | A 2-SULFONYLOXYETHYL-PHOSPHONIC OR -THIONOPHOSPHONIC ACID DERIVATIVE | MITSUBISHI PETROCHEMICAL CO., LTD. (JA) | 1977-11-22 | — | — | US | claimed |
| US-4048374-A | Functional organophosphonic acid esters as preservative adhesion promoting agents and coating for metals | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | claimed |
| US-4013638-A | VULCANIZATION ACCELERATORS, OXIDATION INHIBITORS OF RUBBER | MONSANTO COMPANY (US) | 1977-03-22 | — | — | US | claimed |
| US-3981775-A | GRAFTING NITRO MONOMER ON TO POLYMER, AMINATION, DIAZOTIZATION, ISOTHIOCYANATO FORMATION | KENYON ROBERT SYDNEY | 1976-09-21 | — | — | US | claimed |
| US-3966721-A | COCCIDOSTATICS, HERBICIDES | CIBA-GEIGY CORPORATION (US) | 1976-06-29 | — | — | US | claimed |
| US-3965113-A | 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity | SYNTEX (U.S.A.) INC. (US) | 1976-06-22 | — | — | US | claimed |
| US-3933841-A | ANTHELMINTICS | CIBA-GEIGY CORPORATION (US) | 1976-01-20 | — | — | US | claimed |