SCHEMBL1003323

SCHEMBL1003323

ClC1(Cl)Oc2ccccc2O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
AHR P35869 4/20 0.37
LMNA P02545 4/20 0.36
HTT P42858 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL29973180 1.00 ALOX5 (0.38) ALOX5AHRLMNAHTTABCG2
SCHEMBL6994886 0.81 ALOX5 (0.38) ALOX5AHRLMNAHTTABCG2
SCHEMBL8764608 0.77 ALOX5 (0.35) ALOX5AHRLMNAHTTABCG2
SCHEMBL6990050 0.77 ALOX5 (0.35) ALOX5AHRLMNAHTTABCG2
SCHEMBL30185992 0.73 ALOX5 (0.41) ALOX5AHRLMNAHTTABCG2
SCHEMBL9289415 0.73 ALOX5 (0.41) ALOX5AHRLMNAHTTABCG2
SCHEMBL8976354 0.71 HTR2C (0.33) AHR
SCHEMBL7267859 0.71 MAP3K14 (0.34) AHRALDH1A1TSHR
SCHEMBL8976179 0.71 AHR (0.32) AHR
SCHEMBL6442271 0.71 LMNA (0.32) ALOX5AHRLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363127-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUORO-1,3-BENZODIOXOLE AND INTERMEDIATES THEREOF SRF LIMITED (IN) 2021-11-25 US claimed
EP-3860985-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUORO-1,3-BENZODIOXOLE AND INTERMEDIATES THEREOF SRF LIMITED (IN) 2021-08-11 EP claimed
CN-107936006-B Synthetic method of rivaroxaban 浙江美诺华药物化学有限公司 2020-06-19 CN claimed
WO-2020070759-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUORO-1,3-BENZODIOXOLE AND INTERMEDIATES THEREOF SRF LIMITED (IN) 2020-04-09 WO claimed
EP-0546418-B1 Process for the preparation of 5-substituted 2-chloropyridines BAYER AG (DE) 2001-10-17 EP claimed
EP-0590459-B1 Process for the preparation of difluoro - and chlorofluorobenzodioxolanes BAYER AG (DE) 1997-07-23 EP claimed
EP-0423009-B1 Process for the preparation of 2,2-difluoro-1,3-benzodioxole RHONE POULENC CHIMIE (FR) 1995-12-27 EP claimed
US-5432290-A Fluorination RHONE-POULENC CHIMIE (FR) 1995-07-11 US claimed
US-5350865-A Fluorination of dichlorobenzodioxole with hydrogen fluoride BAYER AKTIENGESELLSCHAFT (DE) 1994-09-27 US claimed
EP-0590459-A2 Process for the preparation of difluoro - and chlorofluorobenzodioxolanes BAYER AG (DE) 1994-04-06 EP claimed
US-4855367-A Orthocarbonates GIBA-GEIGY CORPORATION (US) 1989-08-08 US claimed
EP-0295209-A2 Esters of orthocarbonic acid CIBA-GEIGY AG (CH) 1988-12-14 EP claimed
EP-0090769-B1 PROCESS FOR THE PREPARATION OF 1,2,5,6-TETRAHYDRO-4H-PYRROLO(3,2,1-IJ)-QUINOLIN-4-ONE AND 5-HALO-1,2,3-(1,2,DIHYDROPYRROLO)-4-QUINOLONE INTERMEDIATES CIBA-GEIGY AG (CH) 1986-08-20 EP claimed
US-4550165-A FUNGICIDES CIBA GEIGY CORPORATION (US) 1985-10-29 US claimed
EP-0090769-A2 Process for the preparation of 1,2,5,6-tetrahydro-4H-pyrrolo(3,2,1-ij)-quinolin-4-one and 5-halo-1,2,3-(1,2,dihydropyrrolo)-4-quinolone intermediates CIBA-GEIGY AG (CH) 1983-10-05 EP claimed
EP-0004895-B1 DICHLOROBENZODIOXOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS SYNERGETIC AGENTS IN INSECTICIDAL AND ACARICIDAL COMPOSITIONS BAYER AG (DE) 1981-04-01 EP claimed
JP-6211832-A None JP disclosed
JP-3184972-A None JP disclosed
EP-0006978-A2 Benzyl esters with fluorinated ether and/or thioether groups, their preparations and their use as insecticides; intermediate products and their preparations BAYER AG (DE) 1980-01-23 EP disclosed
EP-0004895-A2 Dichlorobenzodioxole derivatives, process for their preparation and their use as synergetic agents in insecticidal and acaricidal compositions BAYER AG (DE) 1979-10-31 EP disclosed