⚠ 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 | |
|---|---|---|---|---|
| Pyrrole SCHEMBL29124170 | 0.83 | APP (0.46) | — | |
| SCHEMBL718611 | 0.83 | APP (0.42) | — | |
| Diphenylacetylene SCHEMBL68254 | 0.79 | APP (1.00) | — | |
| Diphenylacetylene SCHEMBL29188592 | 0.79 | APP (1.00) | — | |
| Diphenylacetylene SCHEMBL960609 | 0.79 | APP (1.00) | — | |
| SCHEMBL719191 | 0.79 | APP (0.38) | — | |
| Diphenylacetylene SCHEMBL23754282 | 0.76 | APP (0.92) | — | |
| Diphenylacetylene SCHEMBL31286315 | 0.76 | APP (0.92) | — | |
| Diphenylacetylene SCHEMBL9273707 | 0.76 | APP (0.92) | — | |
| Diphenylacetylene SCHEMBL31243352 | 0.76 | APP (0.92) | — |
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 153 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115369429-B | Selective borohydride reaction method for electrochemically catalyzing alkyne | 南京林业大学 | 2024-11-08 | — | — | CN | claimed |
| CN-117845241-A | Method for preparing propargylamine compounds by electrocatalytic reaction | 中国石油化工股份有限公司 | 2024-04-09 | — | — | CN | claimed |
| CN-116396313-A | Alkenyl borate, and preparation method and application thereof | 中山大学 | 2023-07-07 | — | — | CN | claimed |
| CN-116375749-A | Trans-alkenyl potassium trifluoroborate and synthesis method thereof | 西安近代化学研究所 | 2023-07-04 | — | — | CN | claimed |
| CN-115369429-A | Selective hydroboration reaction method for catalyzing alkyne through electrochemistry | 南京林业大学 | 2022-11-22 | — | — | CN | claimed |
| CN-111825645-B | Naphtho-coumarin compound, preparation method and application of naphthocoumarin compound as photoluminescence material | 陕西师范大学 | 2022-05-13 | — | — | CN | claimed |
| CN-109704926-B | Anticancer active molecular skeleton 1, 4-eneyne compound and preparation method and application thereof | 南京工业大学 | 2022-02-08 | — | — | CN | claimed |
| CN-111825645-A | Naphtho-coumarin compound, preparation method and application of naphthocoumarin compound as photoluminescence material | 陕西师范大学 | 2020-10-27 | — | — | CN | claimed |
| CN-111592607-A | Application of covalent organic framework material loaded with rhodium catalyst in alkyne polymerization | 北京理工大学 | 2020-08-28 | — | — | CN | claimed |
| EP-2951179-B1 | SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS | MERCK PATENT GMBH (DE) | 2020-03-11 | — | — | EP | claimed |
| CN-110267950-A | Substituted heteroaryl pyrrolones and its salt and its purposes as herbicidal active compounds | 拜耳作物科学股份公司 | 2019-09-20 | — | — | CN | claimed |
| CN-107531635-A | Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-yl sulfonamides or salts thereof and their use for enhancing stress tolerance in plants | 拜耳作物科学股份公司 | 2018-01-02 | — | — | CN | claimed |
| EP-1371646-B1 | ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME | DAINIPPON SUMITOMO PHARMA CO (JP) | 2010-05-19 | — | — | EP | claimed |
| EP-1144403-B1 | SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS | SEARLE LLC (US) | 2004-10-06 | — | — | EP | claimed |
| JP-5148484-A | — | — | None | — | — | JP | disclosed |
| JP-60166309-A | — | — | None | — | — | JP | disclosed |
| US-12459893-B2 | Indole-ynone mediated benzoannulation process for the preparation of carbazoles, carbazomycin A, calothrixin B and staurosporinone | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2025-11-04 | — | — | US | disclosed |
| WO-1995029911-A1 | BENZOFURAN DERIVATIVES AS D4 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-11-09 | — | — | WO | disclosed |
| JP-H05148484-A | NEMATIC LIQUID CRYSTAL COMPOSITION | DAINIPPON INK & CHEM INC | 1993-06-15 | — | — | JP | disclosed |
| JP-S60166309-A | POLYPHENYLACETYLENE COMPOUND HAVING FLUORINE OR TRIFLUOROMETHYL GROUP | AGENCY OF IND SCIENCE & TECHNOL | 1985-08-29 | — | — | JP | disclosed |