SCHEMBL290082

SCHEMBL290082

O=C(O)CCCCCCCCCCCCCCc1ccccc1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
F13A1 P00488 3/20 0.55
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
LTB4R Q15722 7/20 0.49
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL17593719 0.98 MAPT (0.56) MAPTRXFP1F13A1HDAC3HDAC4
SCHEMBL29381368 0.93 HDAC3 (0.57) MAPTRXFP1F13A1HDAC3HDAC4
SCHEMBL1964215 0.93 HDAC3 (0.57) MAPTRXFP1F13A1HDAC3HDAC4
SCHEMBL8582372 0.87 MAPT (0.46) MAPTRXFP1F13A1HDAC1HDAC2
SCHEMBL4685412 0.86 TAAR1 (0.50) MAPTRXFP1F13A1TAAR1TBXAS1
SCHEMBL30403428 0.85 KEAP1 (0.54) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL4336097 0.85 KEAP1 (0.54) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL22826566 0.85 MAPT (0.67) MAPTRXFP1F13A1HDAC3HDAC4
SCHEMBL4685408 0.84 TAAR1 (0.44) MAPTRXFP1F13A1HDAC1HDAC2
SCHEMBL22826567 0.81 MAPT (0.62) MAPTRXFP1F13A1HDAC3HDAC4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4298082-B1 PROCESS FOR PREPARING BISPHENOL A (BPA) IN THE PRESENCE OF AT LEAST TWO IMPURITIES COVESTRO DEUTSCHLAND AG (DE) 2025-03-12 EP disclosed
US-20240294452-A1 PROCESS FOR PREPARING BISPHENOL A (BPA) IN THE PRESENCE OF CUMENE COVESTRO DEUTSCHLAND AG (DE) 2024-09-05 US disclosed
US-20240116839-A1 PROCESS FOR PREPARING BISPHENOL A (BPA) IN THE PRESENCE OF ACETOPHENONE COVESTRO DEUTSCHLAND AG (DE) 2024-04-11 US disclosed
US-20240109831-A1 PROCESS FOR PREPARING BISPHENOL A (BPA) IN THE PRESENCE OF BENZENE COVESTRO DEUTSCHLAND AG (DE) 2024-04-04 US disclosed
US-20240076256-A1 PROCESS FOR PREPARING BISPHENOL A (BPA) IN THE PRESENCE OF ALPHA-METHYLSTYRENE COVESTRO DEUTSCHLAND AG (DE) 2024-03-07 US disclosed
US-20240076257-A1 PROCESS FOR PREPARING BISPHENOL A (BPA) IN THE PRESENCE OF 2-METHYL BENZOFURAN COVESTRO DEUTSCHLAND AG (DE) 2024-03-07 US disclosed
US-20240059639-A1 PROCESS FOR PREPARING BISPHENOL A (BPA) IN THE PRESENCE OF AT LEAST TWO IMPURITIES COVESTRO DEUTSCHLAND AG (DE) 2024-02-22 US disclosed
WO-2023239909-A1 TRIAZOLE SYNTHESIS, COMPOSITIONS, SYSTEMS AND METHODS DOBER CHEMICAL CORP. (US) 2023-12-14 WO disclosed
US-20220259124-A1 PROCESS FOR PREPARING BISPHENOLE A (BPA) IN THE PRESENCE OF HYDROXYACETONE COVESTRO DEUTSCHLAND AG (DE) 2022-08-18 US disclosed
CN-114269713-A Process for the preparation of bisphenol A (BPA) in the presence of hydroxyacetone 科思创知识产权两合公司 2022-04-01 CN disclosed
EP-2427218-A2 PET RADIOTRACERS FOR IMAGING FATTY ACID METABLOLISM AND STORAGE Washington University (US) 2012-03-14 EP disclosed
WO-2010129572-A2 PET RADIOTRACERS FOR IMAGING FATTY ACID METABLOLISM AND STORAGE WASHINGTON UNIVERSITY (US) 2010-11-11 WO disclosed
WO-2006117945-A1 METHOD FOR DETECTING LIPID METABOLISM DISORDER, AND DIAGNOSTIC AGENT FOR USE THEREIN KOCHI UNIVERSITY (JP) 2006-11-09 WO disclosed