SCHEMBL4528494

SCHEMBL4528494

C#CC(C)(C)CC

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL28191128 0.97
SCHEMBL4526390 0.73
SCHEMBL9257238 0.71
SCHEMBL9257241 0.71
SCHEMBL4533967 0.69
SCHEMBL25222380 0.69
SCHEMBL6060981 0.69
SCHEMBL4949472 0.69
SCHEMBL8387223 0.69
SCHEMBL10922991 0.69

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384870-B2 Method for setting polymerization condition and method for manufacturing optical material MITSUI CHEMICALS, INC. (JP) 2025-08-12 US disclosed
US-12275813-B2 Polymerizable composition for optical materials and application of same MITSUI CHEMICALS, INC. (JP) 2025-04-15 US disclosed
EP-3308928-B1 METHOD FOR PRODUCING PLASTIC LENS AND USE OF A DEVICE FOR PRODUCING A PLASTIC LENS MITSUI CHEMICALS INC (JP) 2025-03-05 EP disclosed
EP-3527597-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2024-08-07 EP disclosed
EP-3438147-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL OBTAINED FROM COMPOSITION, AND PLASTIC LENS MITSUI CHEMICALS INC (JP) 2023-06-21 EP disclosed
US-11639413-B2 Polymerizable composition for optical materials and application of same MITSUI CHEMICALS, INC. (JP) 2023-05-02 US disclosed
CN-115631807-A Numeralization method for molecular structure of organic compound and application thereof 天津大学 2023-01-20 CN disclosed
CN-111868099-B Method for setting polymerization conditions and method for producing optical material 三井化学株式会社 2022-12-16 CN disclosed
EP-3594288-B1 POLYMERIZABLE COMPOSITION AND MOLDED BODY MITSUI CHEMICALS INC (JP) 2022-11-16 EP disclosed
US-11472943-B2 Polymerizable composition for optical material, optical material, and application thereof MITSUI CHEMICALS, INC. (JP) 2022-10-18 US disclosed
US-7619125-B2 Hydrogenation promoter, hydrogenation catalyst, and process for producing alkene compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-11-17 US disclosed
US-7439315-B2 Polymer film and method for producing the same NEC CORPORATION (JP) 2008-10-21 US disclosed
US-20080033221-A1 Hydrogenation Promoter, Hydrogenation Catalyst, and Process for Producing Alkene Compound NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2008-02-07 US disclosed
US-20060052560-A1 Polymer film and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-09 US disclosed
US-20050059788-A1 Supplying raw material gas containing acetylenic compound in chamber under low pressure; activation of gas in plasma generated reaction chamber, depositing on surface of semiconductor; addition polymerization; high mechanical strength SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-17 US disclosed
US-20040122080-A1 Synergist combinations of retinoid receptor ligands and selected cytotoxic agents for treatment of cancer BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US disclosed
EP-1383491-A2 SYNERGISTIC COMBINATIONS OF RETINOID RECEPTOR LIGANDS AND SELECTED CYTOTOXIC AGENTS FOR TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2004-01-28 EP disclosed
WO-2002078620-A2 SYNERGISTIC COMBINATIONS OF RETINOID RECEPTOR LIGANDS AND SELECTED CYTOTOXIC AGENTS FOR TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
US-3983015-A Electrochemical fluorination using excess current PHILLIPS PETROLEUM COMPANY (US) 1976-09-28 US disclosed
US-3981783-A Electrochemical fluorination process utilizing excess current and hydrogen addition PHILLIPS PETROLEUM COMPANY (US) 1976-09-21 US disclosed