Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Chloroform. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Chloroform SCHEMBL7827442 | 1.00 | ALDH1A1 (0.46) | — | |
| Chloroform SCHEMBL181824 | 1.00 | — | — | |
| Chloroform SCHEMBL9236775 | 1.00 | ALDH1A1 (0.46) | — | |
| Chloroform SCHEMBL9230061 | 1.00 | ALDH1A1 (0.46) | — | |
| Chloroform SCHEMBL27708536 | 0.91 | ALDH1A1 (0.40) | — | |
| Chloroform SCHEMBL7008332 | 0.91 | — | — | |
| Chloroform SCHEMBL27652357 | 0.88 | ALDH1A1 (0.38) | — | |
| Chloroform SCHEMBL6069764 | 0.88 | CYP3A4 (0.38) | — | |
| Acetonitrile SCHEMBL365119 | 0.86 | — | — | |
| Isopropyl Alcohol SCHEMBL10462689 | 0.84 | ALDH1A1 (0.43) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111929388-B | Extraction method, detection method and extraction device for flavors and fragrances in food | 广州检验检测认证集团有限公司 | 2021-04-06 | — | — | CN | disclosed |
| CN-111929388-A | Extraction method, detection method and extraction device for flavors and fragrances in food | 广州检验检测认证集团有限公司 | 2020-11-13 | — | — | CN | disclosed |
| US-8466287-B2 | Process for producing tricyclic ketone | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2013-06-18 | — | — | US | disclosed |
| US-20120041204-A1 | PROCESS FOR PRODUCING TRICYCLIC KETONE | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2012-02-16 | — | — | US | disclosed |
| US-8067595-B2 | Process for producing tricyclic ketone | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2011-11-29 | — | — | US | disclosed |
| CN-101193895-B | Method for producing tricyclic ketone | YAKULT HONSHA KK | 2011-06-01 | — | — | CN | disclosed |
| US-20090023927-A1 | Process for producing tricyclic ketone | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2009-01-22 | — | — | US | disclosed |
| CN-101193895-A | Method for producing tricyclic ketone | YAKULT HONSHA KK (JP) | 2008-06-04 | — | — | CN | disclosed |
| EP-1900740-A1 | PROCESS FOR PRODUCING TRICYCLIC KETONE | Kabushiki Kaisha Yakult Honsha (JP) | 2008-03-19 | — | — | EP | disclosed |
| CN-1985940-A | Quality control method of Chinese medicine preparation for menstruction regulating and pain relieving | YIBAI PHARMACEUTICAL CO LTD GU (CN) | 2007-06-27 | — | — | CN | disclosed |
| EP-1183238-A1 | METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2002-03-06 | — | — | EP | disclosed |
| EP-0708781-B1 | A 3 ADENOSINE RECEPTOR AGONISTS | USA (US) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000069816-A1 | METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2000-11-23 | — | — | WO | disclosed |
| US-5773423-A | XANTHINE RIBOSIDES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-06-30 | — | — | US | disclosed |
| EP-0708781-A1 | A 3 ADENOSINE RECEPTOR AGONISTS | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1996-05-01 | — | — | EP | disclosed |
| WO-1995002604-A1 | A3 ADENOSINE RECEPTOR AGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-01-26 | — | — | WO | disclosed |
| US-4322238-A | N-Nitroso-N-phosphonomethylglycinonitrile esters and the herbicidal use thereof | MONSANTO COMPANY (US) | 1982-03-30 | — | — | US | disclosed |