SCHEMBL6897431

SCHEMBL6897431

O=Cc1cc(I)cc(I)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2A6 P11509 3/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
XDH P47989 1/20 0.31
SRC P12931 1/20 0.31
VCAM1 P19320 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
SCHEMBL16439841 0.94 ERN1 (0.41) ERN1ALDH1A1CYP2A6KDM4EPTGS2
SCHEMBL6293617 0.82 ALDH1A1 (0.43) ERN1ALDH1A1HSD17B10VCAM1
SCHEMBL2186856 0.82 ERN1 (0.34) ERN1ALDH1A1
SCHEMBL1072176 0.82 ALDH1A1 (0.46) ERN1ALDH1A1
SCHEMBL17663615 0.82 CYP2A6 (0.42) ERN1ALDH1A1CYP2A6SRC
Hydrochloric Acid SCHEMBL6024705 0.80 ALDH1A1 (0.45) ERN1ALDH1A1
SCHEMBL15481689 0.77 HMGCR (0.36) ERN1ALDH1A1
SCHEMBL25526139 0.77 UNG (0.38) ERN1ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL31540805 0.77 UNG (0.52) ERN1ALDH1A1KDM4EHSD17B10
SCHEMBL3555426 0.77 CES2 (0.34) ERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
CN-120025476-A P-type doped crosslinked hole transport layer material and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2025-05-23 CN disclosed
CN-116440315-A Multi-mode developed gelatin sponge microsphere and preparation method thereof 海南百迈科医疗科技股份有限公司 2023-07-18 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
WO-2022162265-A1 ANTIMICROBIALS AGAINST PATHOGENS OF THE GENUS STREPTOCOCCUS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2022-08-04 WO disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
WO-2022070992-A1 METHOD FOR PRODUCING FLUORINATED AROMATIC ALDEHYDE 東レ株式会社 2022-04-07 WO disclosed
CN-110152732-B Composite catalyst based on conjugated microporous polymer and preparation and application thereof 苏州大学 2022-03-01 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
CN-103923031-A Synthetic method of anacetrapib intermediate SHANTOU SPECIAL ECONOMIC ZONE TUOBIN PHARMACEUTICAL FACTORY 2014-07-16 CN disclosed
CN-103923030-A Synthesis method of key intermediate of anacetrapib SHANTOU SPECIAL ECONOMIC ZONE TUOBIN PHARMACEUTICAL FACTORY 2014-07-16 CN disclosed
US-6320051-B1 AMINO(NH) OR OXYGEN(O) SUBSTITUTED, ENZYME INHIBITORS OF STAPHLOCCOCUS AUREUS METHIONYL T-RNA SYNTHETASE (MRS); ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-11-20 US disclosed
EP-1084110-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-1999055677-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 1999-11-04 WO disclosed
US-5334590-A MRSA active 2-phenyl-carbapenems MERCK & CO., INC. (US) 1994-08-02 US disclosed
US-5256777-A Bactericides MERCK & CO., INC. (US) 1993-10-26 US disclosed
EP-0538016-A1 MRSA active 2-phenyl-carbapenems MERCK & CO. INC. (US) 1993-04-21 EP disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed