SCHEMBL195629

SCHEMBL195629

c1ccc(OP(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
CA4 P22748 1/20 0.39
KCNA3 P22001 1/20 0.36
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
MAOA P21397 1/20 0.33
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL7615332 0.97 LTA4H (0.41) LTA4HTDP1TSHRCYP3A4CA4
SCHEMBL17189423 0.94 CYP3A4 (0.43) LTA4HTDP1TSHRCYP3A4CA4
SCHEMBL9063101 0.91 CA4 (0.39) LTA4HTDP1TSHRCYP3A4CA4
SCHEMBL11664687 0.91 LTA4H (0.36) LTA4HTDP1TSHRCYP3A4CA4
SCHEMBL1465968 0.87 TDP1 (0.38) LTA4HTDP1TSHRCYP3A4CA4
SCHEMBL29019209 0.87 CYP3A4 (0.38) LTA4HTDP1TSHRCYP3A4TAAR1
SCHEMBL11706614 0.85 ALDH1A1 (0.41) LTA4HTDP1CYP3A4TAAR1ALDH1A1
SCHEMBL5598440 0.85 LTA4H (0.32) LTA4HTDP1TSHRCYP3A4CA4
SCHEMBL11705999 0.84 ALDH1A1 (0.42) LTA4HTDP1TSHRCA4CA5A
SCHEMBL11704084 0.84 NFE2L2 (0.37) LTA4HTDP1TSHRCA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022244969-A1 METHOD FOR PREPARING METHYLENE LACTONE-BASED COMPOUND 주식회사 자경케미칼 2022-11-24 WO claimed
CN-105280828-A Organic light-emitting device of high-efficient phosphorescent material copper (I) complex based on heavy-atom effect UNIV JILIN NORMAL 2016-01-27 CN claimed
CN-102891256-B Cu(I) complex-based visible dead zone organic ultraviolet light detector UNIV JILIN NORMAL 2015-04-08 CN claimed
CN-102544371-B Organic photovoltaic cell based on Cu (I) complex triplet state material UNIV JILIN NORMAL 2014-05-21 CN claimed
US-8633127-B2 Selective hydrogenation catalyst and methods of making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-01-21 US claimed
CN-102153483-B Axial chirality vicinal diamine compound and preparation method thereof UNIV SOUTH CHINA TECH 2013-10-30 CN claimed
CN-101747375-B Cooper (I) phosphorescent complexes using 8-phosphinoquinoline derivative as ligand and application thereof FUJIAN MATTER STRUCTURE 2013-08-14 CN claimed
CN-102891256-A Cu(I) complex-based visible dead zone organic ultraviolet light detector UNIV JILIN NORMAL 2013-01-23 CN claimed
CN-102544371-A Organic photovoltaic cell based on Cu (I) complex triplet state material UNIV JILIN NORMAL 2012-07-04 CN claimed
CN-102153483-A Axial chirality vicinal diamine compound and preparation method thereof UNIV SOUTH CHINA TECH 2011-08-17 CN claimed
US-7115790-B2 Method for the production of 1-octene by reductive telomerisation OXENO OLEFINCHEMIE GMBH (DE) 2006-10-03 US claimed
CN-1580180-A Method for preparing organic electroluminescent device of copper (I) phosphorescence material CHANGCHUN APPLIED CHEMISTRY (CN) 2005-02-16 CN claimed
EP-0922046-B1 PROCESS FOR THE PREPARATION OF 7-ALKOXYALKYL-1,2,4-TRIAZOLO 1,5-A] PYRIMIDINE DERIVATIVES ABBOTT GMBH & CO KG (DE) 2004-04-28 EP claimed
EP-0922046-A1 PROCESS FOR THE PREPARATION OF 7-ALKOXYALKYL-1,2,4-TRIAZOLO 1,5-A] PYRIMIDINE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1999-06-16 EP claimed
WO-1998007724-A1 PROCESS FOR THE PREPARATION OF 7-ALKOXYALKYL-1,2,4-TRIAZOLO[1,5-A] PYRIMIDINE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1998-02-26 WO claimed
US-4400547-A LIGANDIZING REACTOR EFFLUENT TO PREVENT CATALYST LOSS THROUGH PLATING EASTMAN KODAK COMPANY (US) 1983-08-23 US claimed
EP-0010565-B1 PROCESS FOR PREPARING N-TRITYLIMIDAZOLE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-11-10 EP claimed
US-4216333-A Process for preparing N-tritylimidazole compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-08-05 US claimed
EP-0010565-A1 Process for preparing N-tritylimidazole compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-14 EP claimed
US-4025570-A REACTION OF ETHYLENE WITH 1,3-DIENE; CATALYST OF NICKEL, HYDROCARBYLALUMINUM HALIDE, AND ARYL PHOSPHINITE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-05-24 US claimed