SCHEMBL996494

SCHEMBL996494

C=CCOC(=O)C(O)OCCCCC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
HPGD P15428 1/20 0.41
NAAA Q02083 1/20 0.38
HCAR2 Q8TDS4 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
EPHX1 P07099 1/20 0.36
PLA2G4B P0C869 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL10783620 0.80 TSHR (0.42) TSHRHPGDTDP1
SCHEMBL28790714 0.80 TSHR (0.51) TSHRHPGDNAAAHCAR2TDP1
SCHEMBL28791527 0.80 TSHR (0.51) TSHRHPGDNAAAHCAR2TDP1
SCHEMBL18175956 0.79 TSHR (0.44) TSHRHPGDHCAR2TDP1ATM
SCHEMBL15526355 0.78 TSHR (0.49) TSHRHPGDHCAR2TDP1ATM
SCHEMBL9303189 0.78 MAPT (0.41) TSHRTDP1
SCHEMBL7566937 0.76 ALDH1A1 (0.52) TSHRHPGDNAAAHCAR2TDP1
SCHEMBL1871016 0.76 TSHR (0.54) TSHRHPGDTDP1
SCHEMBL154641 0.76 TSHR (0.54) TSHRHPGDTDP1
SCHEMBL167949 0.75 CYP3A4 (0.43) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1361817-A Perfume compositions PROCTER & GAMBLE (US) 2002-07-31 CN claimed
EP-4687810-A1 PREPARATIONS COMPRISING HYDROXY PINACOLONE RETINOATE Symrise AG (DE) 2026-02-11 EP disclosed
WO-2025104977-A1 NOVEL ALDEHYDE COMPOUND 花王株式会社 2025-05-22 WO disclosed
WO-2025104976-A1 FRAGRANCE COMPOSITION 花王株式会社 2025-05-22 WO disclosed
EP-3684898-B1 METHOD FOR PRODUCING AN ACTIVE SUBSTANCE WAFER SYMRISE AG (DE) 2025-04-30 EP disclosed
WO-2025040241-A1 A SUNSCREEN COMPOSITION SYMRISE AG (DE) 2025-02-27 WO disclosed
WO-2024235510-A1 ANTI-DANDRUFF COMPOSITIONS ANALYTICON DISCOVERY GMBH (DE) 2024-11-21 WO disclosed
EP-4464309-A1 ANTIDANDRUFF COMPOSITION COMPRISING 1-ACETOXYCHAVICOL ACETATE Analyticon Discovery GmbH (DE) 2024-11-20 EP disclosed
WO-2024199669-A1 PREPARATIONS COMPRISING HYDROXY PINACOLONE RETINOATE SYMRISE AG (DE) 2024-10-03 WO disclosed
US-12036308-B2 Transparent liquid composition SHISEIDO COMPANY, LTD. (JP) 2024-07-16 US disclosed
EP-1967579-A1 LIQUID DETERGENT Kao Corporation (JP) 2008-09-10 EP disclosed
CN-101023900-A Separate packaging absorptive article KAO CORP (JP) 2007-08-29 CN disclosed
US-20060258776-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. 2006-11-16 US disclosed
EP-1721943-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2006-11-15 EP disclosed
US-7030070-B2 Composition for hard article surface cleaning liquid TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-04-18 US disclosed
JP-2005220324-A PERFUME COMPOSITION KAO CORP 2005-08-18 JP disclosed
CN-1167788-C Encapsulated perfume particles and detergent compsns. contg. said particles 2004-09-22 CN disclosed
US-20040033912-A1 Composition for hard article surface cleaning liquid TAKASAGO INTERNATIONAL CORPORATION 2004-02-19 US disclosed
CN-1361817-A Perfume compositions PROCTER & GAMBLE (US) 2002-07-31 CN disclosed
CN-1332789-A Bleach-containing detergent composition PROCTER & GAMBLE (US) 2002-01-23 CN disclosed