⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28859802 | 0.97 | — | — | |
| Water SCHEMBL27507117 | 0.97 | — | — | |
| Cyclohexane SCHEMBL27350422 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL223119 | 0.90 | — | — | |
| SCHEMBL8660949 | 0.87 | CYP1A2 (0.44) | — | |
| SCHEMBL16161159 | 0.87 | CYP1A2 (0.44) | — | |
| SCHEMBL8663867 | 0.87 | CYP1A2 (0.44) | — | |
| SCHEMBL3679794 | 0.87 | — | — | |
| SCHEMBL8679600 | 0.87 | — | — | |
| SCHEMBL8130138 | 0.87 | CYP1A2 (0.44) | — |
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 1409 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118440064-A | Viscosity response fluorescent probe and preparation method and application thereof | 齐鲁工业大学(山东省科学院) | 2024-08-06 | — | — | CN | claimed |
| CN-117736197-A | Cu-based 2+ Synthesis method and application of imaging bimodal probe | 中国科学院精密测量科学与技术创新研究院 | 2024-03-22 | — | — | CN | claimed |
| CN-117599214-A | Cisplatin diagnosis and treatment probe targeting carbonic anhydrase and preparation method and application thereof | 南京大学 | 2024-02-27 | — | — | CN | claimed |
| CN-114824391-B | Polyphenyl ether anionic membrane containing triazole long side chain, and preparation method and application thereof | 上海交通大学 | 2023-11-24 | — | — | CN | claimed |
| CN-117024416-A | Hemicyanine compound and pharmaceutical composition, preparation method and application thereof | 中国药科大学 | 2023-11-10 | — | — | CN | claimed |
| CN-116693590-A | Fusidic acid derivative and preparation method and application thereof | 南京工业大学 | 2023-09-05 | — | — | CN | claimed |
| CN-116693511-A | Viscosity response fluorescent probe and preparation method and application thereof | 齐鲁工业大学(山东省科学院) | 2023-09-05 | — | — | CN | claimed |
| CN-116589482-A | Metal beta-lactamase fluorescent probe and preparation method and application thereof | 南京工业大学 | 2023-08-15 | — | — | CN | claimed |
| CN-116283933-A | Near infrared fluorescent probe and preparation method and application thereof | 南京工业大学 | 2023-06-23 | — | — | CN | claimed |
| CN-115894914-A | Alkynyl-modified polybenzimidazole, crosslinked membrane thereof, preparation method thereof and battery | 佛山科学技术学院 | 2023-04-04 | — | — | CN | claimed |
| CN-1056824-C | Improved synthesis of cyclopropylacetylene | MERCK & CO INC (US) | 2000-09-27 | — | — | CN | claimed |
| US-6028237-A | Synthesis of cyclopropylacetylene | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-02-22 | — | — | US | claimed |
| EP-0805790-B1 | IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE | MERCK & CO INC (US) | 1999-11-24 | — | — | EP | claimed |
| WO-1998027034-A1 | AN IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-06-25 | — | — | WO | claimed |
| CN-1169137-A | Improved synthesis of cyclopropylacetylene | MERCK & CO INC (US) | 1997-12-31 | — | — | CN | claimed |
| EP-0805790-A1 | IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | claimed |
| US-5663467-A | BASIC REACTION OF 5-HALO-1-PENTYNE IN APROTIC SOLVENT, HEATING AND CYCLIZATION THEN QUENCHING | MERCK & CO., INC. (US) | 1997-09-02 | — | — | US | claimed |
| WO-1996022955-A1 | IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | claimed |
| US-4496700-A | Polymerization of haloalkynes by a nickel catalyst | UNION CARBIDE CORPORATION (US) | 1985-01-29 | — | — | US | claimed |
| EP-0084860-A1 | A novel compound 5-chloro-1-bromo-1-pentyne and a method for the preparation thereof | Shin-Etsu Chemical Co., Ltd. (JP) | 1983-08-03 | — | — | EP | claimed |