⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL197638 | 0.78 | — | — | |
| SCHEMBL723096 | 0.78 | — | — | |
| Water SCHEMBL28044737 | 0.76 | — | — | |
| SCHEMBL30129770 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6069542 | 0.76 | — | — | |
| SCHEMBL28044800 | 0.76 | — | — | |
| Water SCHEMBL28044696 | 0.73 | HCAR2 (0.48) | — | |
| SCHEMBL21744554 | 0.71 | MKNK1 (0.55) | — | |
| Cyanide SCHEMBL28048122 | 0.71 | HCAR2 (0.46) | — | |
| Formaldehyde SCHEMBL28060910 | 0.71 | HCAR2 (0.52) | — |
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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12528784-B2 | Alkynyl-(heteroaryl)-carboxamide HCN1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2026-01-20 | — | — | US | disclosed |
| CN-114746408-B | Alkynyl- (heteroaryl) -carboxamide HCN1 inhibitors | 豪夫迈·罗氏有限公司 | 2025-02-14 | — | — | CN | disclosed |
| US-20240376044-A1 | METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2024-11-14 | — | — | US | disclosed |
| US-12071396-B2 | Method for preparing aromatic amino acid derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2024-08-27 | — | — | US | disclosed |
| US-12065399-B2 | Arylsulfonamide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2024-08-20 | — | — | US | disclosed |
| EP-4013495-B1 | ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2023-09-27 | — | — | EP | disclosed |
| WO-2023154282-A1 | COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS | THERAS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |
| WO-2023055702-A1 | MAIN PROTEASE (M PRO) INHIBITORS AND METHODS USING SAME | ARBUTUS BIOPHARMA CORPORATION (CA) | 2023-04-06 | — | — | WO | disclosed |
| WO-2023023527-A1 | PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | GILEAD SCIENCES, INC. (US) | 2023-02-23 | — | — | WO | disclosed |
| WO-2022267901-A1 | ORGANIC COMPOUND, ELECTRONIC COMPONENT. AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2022-12-29 | — | — | WO | disclosed |
| US-20120270852-A1 | PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-25 | — | — | US | disclosed |
| EP-2513102-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2012136603-A1 | 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-11 | — | — | WO | disclosed |
| US-20120253035-A1 | 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-04 | — | — | US | disclosed |
| CN-102686589-A | Ethynyl derivatives | HOFFMANN LA ROCHE | 2012-09-19 | — | — | CN | disclosed |
| WO-2011128279-A1 | ARYLETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |
| US-20110251169-A1 | Arylethynyl derivatives | HOFFMANN-LA ROCHE, INC. | 2011-10-13 | — | — | US | disclosed |
| WO-2011073172-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |
| US-20110152257-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS | HOFFMANN-LA ROCHE, INC. | 2011-06-23 | — | — | US | disclosed |
| WO-1999038865-A1 | 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES AS PESTICIDES | ZENECA LIMITED (GB) | 1999-08-05 | — | — | WO | disclosed |