⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25244463 | 0.81 | TRPA1 (0.35) | — | |
| SCHEMBL10564340 | 0.73 | TRPA1 (0.33) | — | |
| SCHEMBL4779439 | 0.69 | — | — | |
| SCHEMBL25332876 | 0.65 | — | — | |
| SCHEMBL11339733 | 0.63 | TRPA1 (0.35) | — | |
| SCHEMBL11785912 | 0.62 | — | — | |
| SCHEMBL14583894 | 0.62 | — | — | |
| SCHEMBL965840 | 0.62 | — | — | |
| SCHEMBL28818345 | 0.61 | NAAA (0.34) | — | |
| SCHEMBL347628 | 0.61 | — | — |
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 194 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113004182-B | Preparation method of trifluoro-isothiocyanato ethane | 顺毅股份有限公司 | 2024-01-12 | — | — | CN | claimed |
| WO-2023198516-A1 | PROCESS FOR THE PREPARATION OF 1,1,1-TRIFLUORO-2-ISOTHIOCYANATOETHANE | BAYER AKTIENGESELLSCHAFT (DE) | 2023-10-19 | — | — | WO | claimed |
| US-20260028336-A1 | CBL-B INHIBITORS AND METHODS OF USE THEREOF | ARCUS BIOSCIENCES, INC. (US) | 2026-01-29 | — | — | US | disclosed |
| US-12517133-B2 | Macromolecule analysis employing nucleic acid encoding | DF PEPTIDE ACQUISITION LLC | 2026-01-06 | — | — | US | disclosed |
| US-12498378-B2 | Methods for spatial analysis of proteins and related kits | DF PEPTIDE ACQUISITION LLC | 2025-12-16 | — | — | US | disclosed |
| US-12474346-B2 | Methods and kits for multicycle encoding assay | DF PEPTIDE ACQUISITION LLC | 2025-11-18 | — | — | US | disclosed |
| US-12467049-B2 | Methods and kits using nucleic acid encoding and/or label | DF PEPTIDE ACQUISITION LLC | 2025-11-11 | — | — | US | disclosed |
| US-20250237660-A1 | METHODS AND KITS FOR MULTICYCLE ENCODING ASSAY | Encodia, Inc. (US) | 2025-07-24 | — | — | US | disclosed |
| US-20250228239-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | CORTEVA AGRISCIENCE LLC (US) | 2025-07-17 | — | — | US | disclosed |
| US-12320813-B2 | Macromolecule analysis employing nucleic acid encoding | Encodia, Inc. (US) | 2025-06-03 | — | — | US | disclosed |
| EP-4558501-A1 | CBL-B INHIBITORS AND METHODS OF USE THEREOF | Arcus Biosciences, Inc. (US) | 2025-05-28 | — | — | EP | disclosed |
| EP-0103390-A2 | Guanidine-containing esters as histamine H2 receptor blockers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-03-21 | — | — | EP | disclosed |
| US-4362728-A | Haloguanidine compounds, pharmaceutical compositions and methods of use | ICI AMERICAS INC. (US) | 1982-12-07 | — | — | US | disclosed |
| EP-0061318-A2 | Guanidinoheterocyclic derivatives as histamine H-2 antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-29 | — | — | EP | disclosed |
| EP-0060697-A1 | Heterocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-22 | — | — | EP | disclosed |
| EP-0060730-A2 | Bicyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-22 | — | — | EP | disclosed |
| EP-0060094-A2 | Guanidine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-15 | — | — | EP | disclosed |
| EP-0059597-A2 | Guanidino-substituted heterocyclic derivatives having histamine H-2 antagonist activity | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-08 | — | — | EP | disclosed |
| EP-0055562-A2 | Cephalosporin derivatives | ICI PHARMA (FR) | 1982-07-07 | — | — | EP | disclosed |
| EP-0030092-A1 | Guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-06-10 | — | — | EP | disclosed |