⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1769976 | 0.81 | — | — | |
| SCHEMBL31543742 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL8053054 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL4122875 | 0.78 | — | — | |
| SCHEMBL821280 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL11467129 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL7879960 | 0.73 | — | — | |
| SCHEMBL16372189 | 0.73 | — | — | |
| SCHEMBL29621251 | 0.73 | — | — | |
| SCHEMBL16372188 | 0.73 | — | — |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5091559-A | Process for the preparation of alkyl 4-oxobutyrate and its acetals | QUANTUM CHEMICAL CORPORATION (US) | 1992-02-25 | — | — | US | claimed |
| JP-10338655-A | — | — | None | — | — | JP | disclosed |
| JP-55143985-A | — | — | None | — | — | JP | disclosed |
| US-20260092066-A1 | NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE | BRISTOL MYERS SQUIBB CO (US) | 2026-04-02 | — | — | US | disclosed |
| US-12378246-B2 | Synthetic options towards the manufacture of (6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6-oxo-1(6H)-pyrimidinyl} - 1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-11,15-(metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | BRISTOL-MYERS SQUIBB COMPANY (US) | 2025-08-05 | — | — | US | disclosed |
| CN-115557991-B | Preparation method and application of 3, 3-dialkoxyl propyl methyl phosphonate | 中国药科大学 | 2025-04-18 | — | — | CN | disclosed |
| CN-114375290-B | Novel synthetic options for preparing compounds | 百时美施贵宝公司 | 2024-11-29 | — | — | CN | disclosed |
| US-20240186520-A1 | RESIN COMPOSITION FOR SECONDARY BATTERY ELECTRODE | SEKISUI CHEMICAL CO., LTD. (JP) | 2024-06-06 | — | — | US | disclosed |
| CN-115279801-B | Modified polyvinyl acetal resin, composition for battery electrode, and pigment composition | 积水化学工业株式会社 | 2024-05-07 | — | — | CN | disclosed |
| CN-114479059-B | Propionaldehyde functionalized polyethylene glycol derivative and preparation method thereof | 中国科学院长春应用化学研究所 | 2024-03-12 | — | — | CN | disclosed |
| WO-1991019516-A1 | METAL-RADIONUCLIDE COMPLEX COMPRISING ISONITRILE LIGANDS | MALLINCKRODT MEDICAL, INC. (US) | 1991-12-26 | — | — | WO | disclosed |
| US-5072005-A | Reacting acrolein, carbon monoxide, methanol in presence of palladium catalyst, hydrogen halide and arylarsine promoter | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1991-12-10 | — | — | US | disclosed |
| US-4745198-A | CARDIOVASCULAR DISORDERS, BRONCHODILATOR AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-05-17 | — | — | US | disclosed |
| EP-0094239-B1 | 1,3-DIOXAN-5-YLALKENOIC ACIDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-07-15 | — | — | EP | disclosed |
| US-4567197-A | THORMBOXANE A2 ANTAGONISTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-01-28 | — | — | US | disclosed |
| US-4420620-A | Preparation of 2-pyrrolidones | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1983-12-13 | — | — | US | disclosed |
| EP-0094239-A2 | 1,3-Dioxan-5-ylalkenoic acids | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-11-16 | — | — | EP | disclosed |
| JP-S55143985-A | PREPARATION OF NOVEL XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO CO LTD | 1980-11-10 | — | — | JP | disclosed |
| US-4189431-A | CYCLIZATION OF POLYENINE TO POLYCYCLIC COMPOUND HAVING CYCLOPENTANO RING | The Board of Trustees of Leland Stanford Junior University (US) | 1980-02-19 | — | — | US | disclosed |
| US-4163112-A | INSECTICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1979-07-31 | — | — | US | disclosed |