SCHEMBL3462874

SCHEMBL3462874

CCC1(COC(C)=O)COC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSK P43235 4/20 0.37
POLB P06746 1/20 0.35
PRKCA P17252 5/20 0.35
EPHX1 P07099 1/20 0.32

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
SCHEMBL2846730 0.90 ALDH1A1 (0.39) TSHRALDH1A1HSD17B10LMNAPRKCA
SCHEMBL7087659 0.86 ALDH1A1 (0.38) TSHRALDH1A1HSD17B10LMNAPRKCA
SCHEMBL1813100 0.86 TSHR (0.47) TSHRALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3462881 0.85 ALDH1A1 (0.37) TSHRALDH1A1HSD17B10LMNAPRKCA
SCHEMBL17451609 0.85 TSHR (0.44) TSHRHSD17B10MEN1KMT2ACTSK
SCHEMBL9838034 0.84 EPHX1 (0.41) TSHRALDH1A1HSD17B10LMNAPRKCA
SCHEMBL1813102 0.84 TSHR (0.46) TSHRHSD17B10MEN1KMT2ACTSK
SCHEMBL17123534 0.84 TSHR (0.48) TSHRALDH1A1HSD17B10LMNAMEN1
SCHEMBL24931680 0.83 ALDH1A1 (0.35) TSHRALDH1A1HSD17B10LMNAPRKCA
SCHEMBL12263773 0.82 TSHR (0.48) TSHRHSD17B10MEN1KMT2ACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737345-B2 Organic electronic material, ink composition containing same, and organic thin film, organic electronic element, organic electroluminescent element, lighting device, and display device formed therewith RESONAC CORPORATION (JP) 2023-08-22 US disclosed
US-20180145257-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION CONTAINING SAME, AND ORGANIC THIN FILM, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELETROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE FORMED THEREWITH RESONAC CORPORATION (JP) 2018-05-24 US disclosed
US-9929346-B2 Organic electronic material, ink composition containing same, and organic thin film, organic electronic element, organic electroluminescent element, lighting device, and display device formed therewith HITACHI CHEMICAL COMPANY, LTD. (JP) 2018-03-27 US disclosed
US-20170174807-A1 POLYMER, PHOTOSENSITIVE RESIN COMPOSITION, AND ELECTRONIC DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2017-06-22 US disclosed
WO-2017097401-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2017-06-15 WO disclosed
US-9638849-B2 Liquid crystal compound, optical film, and method for producing optical film FUJIFILM CORPORATION (JP) 2017-05-02 US disclosed
US-9638849-B2 Liquid crystal compound, optical film, and method for producing optical film FUJIFILM CORPORATION (JP) 2017-05-02 US disclosed
US-20170088672-A1 POLYMER, PHOTOSENSITIVE RESIN COMPOSITION, AND ELECTRONIC DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2017-03-30 US disclosed
US-9605207-B2 Orthoester derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-03-28 US disclosed
US-20170044308-A1 POLYMER OR OLIGOMER, HOLE TRANSPORT MATERIAL COMPOSITION, AND ORGANIC ELECTRONIC ELEMENT USING SAME HITACHI CHEMICAL COMPANY, LTD. (JP) 2017-02-16 US disclosed
EP-2204388-A1 PROCESS FOR THE PRODUCTION OF WATER-ABSORBING RESINS AND WATER-ABSORBING RESINS OBTAINED BY THE PROCESS Sumitomo Seika Chemicals CO. LTD. (JP) 2010-07-07 EP disclosed
EP-1406956-B1 SURFACE TREATMENT OF PLASTIC MATERIAL WITH AN ORGANIC POLYMERISABLE AND/OR CROSSLINKABLE COMPOSITION HAVING REACTIVE FUNCTIONS RHODIA CHIMIE SA (FR) 2008-03-26 EP disclosed
US-20070031759-A1 Radiation curable polymer films having improved laser ablation properties and radiation curable sensitizers therefor NDSU RESEARCH FOUNDATION 2007-02-08 US disclosed
US-20060014918-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY (US) 2006-01-19 US disclosed
US-4237250-A Polyurethanes containing aryl sulfonic acid alkyl ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-4211850-A Polyhydroxy compounds containing urethane aryl sulfonic acid hydroxyalkyl ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-07-08 US disclosed
US-4201852-A Polyurethanes based on modified polyisocyanates containing sulphonic acid ester groups and process for the production thereof BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4189562-A Polyhydroxy compounds containing urethane aryl sulfonic acid hydroxyalkyl ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
EP-0000722-A1 Process for the preparation of polyurethanes containing arylsulfonic acid alkyl ester groups BAYER AG (DE) 1979-02-21 EP disclosed
EP-0000723-A1 Polyhydroxy compounds containing urethane-aryl-sulfonic acid-hydroxyalkyl ester groups, process for their preparation and their use as reaction components for the preparation of polyurethane resins BAYER AG (DE) 1979-02-21 EP disclosed