SCHEMBL487228

SCHEMBL487228

CC(C)(C)C#CC(O)C#CC(C)(C)C

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
SCHEMBL26080887 0.80
SCHEMBL16154671 0.78
SCHEMBL179451 0.78
SCHEMBL12056984 0.78
SCHEMBL16154682 0.73
SCHEMBL16154672 0.71 TSHR (0.38)
SCHEMBL5372051 0.71
SCHEMBL8548099 0.69
SCHEMBL5309032 0.69 ABCG2 (0.34)
SCHEMBL27603164 0.69 ABCG2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727692-B2 Electrophotographic photoreceptor, image forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2010-06-01 US claimed
US-10604664-B2 Infrared absorbing particle dispersion, aqueous ink, and ink cartridge FUJI XEROX CO., LTD. (JP) 2020-03-31 US disclosed
US-10407585-B2 Aqueous ink for ink jet recording, aqueous ink set for ink jet recording, and ink jet recording method FUJI XEROX CO., LTD. (JP) 2019-09-10 US disclosed
US-10343421-B2 Aqueous ink for ink jet recording, aqueous ink set for ink jet recording, and ink jet recording apparatus FUJI XEROX CO., LTD. (JP) 2019-07-09 US disclosed
US-10266713-B2 Particle dispersion liquid, aqueous ink, ink cartridge, recording apparatus, and recording method FUJI XEROX CO., LTD. (JP) 2019-04-23 US disclosed
US-20180273785-A1 PARTICLE DISPERSION LIQUID, AQUEOUS INK, INK CARTRIDGE, RECORDING APPARATUS, AND RECORDING METHOD FUJI XEROX CO., LTD. (JP) 2018-09-27 US disclosed
US-20180112092-A1 NEAR-INFRARED ABSORBENT DISPERSION, AQUEOUS INK FOR INK JET RECORDING, AND AQUEOUS INK SET FOR INK JET RECORDING FUJI XEROX CO., LTD. (JP) 2018-04-26 US disclosed
US-20180111388-A1 AQUEOUS INK FOR INK JET RECORDING, AQUEOUS INK SET FOR INK JET RECORDING, AND INK JET RECORDING APPARATUS FUJI XEROX CO., LTD. (JP) 2018-04-26 US disclosed
US-20180112092-A1 NEAR-INFRARED ABSORBENT DISPERSION, AQUEOUS INK FOR INK JET RECORDING, AND AQUEOUS INK SET FOR INK JET RECORDING FUJI XEROX CO., LTD. (JP) 2018-04-26 US disclosed
US-20180111388-A1 AQUEOUS INK FOR INK JET RECORDING, AQUEOUS INK SET FOR INK JET RECORDING, AND INK JET RECORDING APPARATUS FUJI XEROX CO., LTD. (JP) 2018-04-26 US disclosed
US-20080254380-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2008-10-16 US disclosed
US-20080031642-A1 Electrophotographic photoreceptor, image forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2008-02-07 US disclosed
US-6482950-B1 Squarylium compounds, and processes and intermediates for the synthesis of these compounds POLAROID CORPORATION 2002-11-19 US disclosed
US-6458967-B1 REACTING ACETYLENE COMPOUNDS TO FORM ENOL ETHER; REACTING WITH SULFUR OR SELENIUM OR TELLURIUM COMPOUND TO FORM DYE PRODUCT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2002-10-01 US disclosed
US-20020022723-A1 Method for preparation of an intermediate dye product RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE STATE UNIVERSITY OF NEW YORK AT BUFFALO 2002-02-21 US disclosed
WO-2002000642-A1 METHOD FOR PREPARATION OF AN INTERMEDIATE DYE PRODUCT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2002-01-03 WO disclosed
US-5919950-A SYNTHESIS OF SQUARATE DYES POLAROID CORPORATION (US) 1999-07-06 US disclosed
EP-0516985-B1 Synthesis of squarylium compounds POLAROID CORP (US) 1997-12-29 EP disclosed
US-5231190-A SQUARYLIUM COMPOUNDS, AND PROCESSES AND INTERMEDIATES FOR THE SYNTHESIS OF THESE COMPOUNDS POLAROID CORPORATION (US) 1993-07-27 US disclosed
EP-0516985-A1 Synthesis of squarylium compounds POLAROID CORPORATION (US) 1992-12-09 EP disclosed