SCHEMBL8345805

SCHEMBL8345805

COP(=O)(CCC#N)OC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NLRP3 Q96P20 1/20 0.32
TSHR P16473 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL19398541 0.85 TSHR (0.48) TDP1TSHR
SCHEMBL491513 0.76 TSHR (0.54) TDP1TSHR
SCHEMBL11527841 0.75 CTSA (0.36) ALDH1A1TSHR
SCHEMBL4693695 0.74 FAAH (0.35) TSHR
SCHEMBL1127967 0.74
SCHEMBL13854206 0.73 TSHR (0.45) TDP1TSHR
SCHEMBL28583373 0.73 TSHR (0.36) TSHR
SCHEMBL22750784 0.72
SCHEMBL11526835 0.72 TSHR (0.31) TSHR
SCHEMBL11907935 0.71 CYP3A4 (0.34) ALDH1A1TDP1NLRP3TSHR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692079-B2 2-dimensional MXene particle surface-modified with functional group containing saturated or unsaturated hydrocarbon, preparation method thereof and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-07-04 US disclosed
US-5861107-A ESTER INTERCHANGE OF 1,3-PROPANEDIOL COMPOUNDS WITH CARBONIC ACID ESTERS; DISTILLATIVE DEPOLYMERIZATION; CATALYSIS WITH TITANIUM OR ZIRCONIUM COMPOUND; PHOSPHORUS OR SULFUR COMPOUND STABILIZER BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
EP-0382114-B1 N-acyl-2-amino acid amides containing phosphinic-acid esters, process for their preparation and N-acyl-2-amino acid nitriles as starting products HOECHST SCHERING AGREVO GMBH (DE) 1996-10-23 EP disclosed
US-5486608-A COLORFASTNESS CHIBA-GEIGY CORPORATION (US) 1996-01-23 US disclosed
US-5037979-A Photochemical stabilizers for dyeable polyamide, polyacrylo-nitrile and polyester fibers CIBA-GEIGY CORPORATION (US) 1991-08-06 US disclosed
EP-0382114-A2 N-acyl-2-amino acid amides containing phosphinic-acid esters, process for their preparation and N-acyl-2-amino acid nitriles as starting products Hoechst Schering AgrEvo GmbH (DE) 1990-08-16 EP disclosed
US-4602087-A BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1986-07-22 US disclosed
US-4377537-A FROM TRIARYL PHOSPHITE AND ALKYL PHOSPHITE OR PHOSPHONOUS ACID DIARYL ESTER AND PHOSPHONOUS ACID DIALKYL ESTER BAYER AKTIENGESELLSCHAFT (DE) 1983-03-22 US disclosed
US-4339393-A OPTICAL BRIGHTENERS, FLUORESCENT DYES CIBA-GEIGY CORPORATION (US) 1982-07-13 US disclosed
US-4314820-A FOR TEXTILES CIBA-GEIGY CORPORATION (US) 1982-02-09 US disclosed
US-4246172-A FOR DYEING TEXTILES SUCH AS POLYACRYLONITRILE, AND ACID MODIFIED POLYESTERS AND POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
US-4244893-A FIREPROOFING; FINISHES FOR TEXTILES HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-13 US disclosed
US-4067927-A TEXTILES STAUFFER CHEMICAL COMPANY (US) 1978-01-10 US disclosed
US-4017257-A Textiles fire-retardant treated with copolycondensed vinylphosphonates and process STAUFFER CHEMICAL COMPANY (US) 1977-04-12 US disclosed
US-4013709-A REACTION OF ENOL ETHER WITH HYDROGEN PEROXIDE, BORON CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-4001303-A BORON COMPOUND; COMPOUNDS, 5; COMPOUNDS, 6; CATALYSTS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3974224-A HYDROGEN PEROXIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3972944-A BORON OXIDE, BORIC ACID OR BORATE AND VANADIUM OR MOLYBDENUM CONTAINING CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed