SCHEMBL1704887

SCHEMBL1704887

CCCCCCCCC1=C(C2=CCCCCC2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
PSMB5 P28074 1/20 0.38
SCD O00767 1/20 0.33
CCR5 P51681 2/20 0.32
CHRM1 P11229 4/20 0.32
CHRM2 P08172 3/20 0.32
CHRM5 P08912 3/20 0.32
CHRM3 P20309 3/20 0.32
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SHBG P04278 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9419073 0.80 FFAR4 (0.40) FFAR4PSMB5PTGS2
SCHEMBL17768660 0.76 ALDH1A1 (0.45) ALDH1A1
SCHEMBL11069335 0.76 ALDH1A1 (0.45) ALDH1A1
SCHEMBL29212867 0.76 ALDH1A1 (0.45) ALDH1A1
SCHEMBL17768658 0.76 ALDH1A1 (0.45) ALDH1A1
SCHEMBL28297898 0.76 ALDH1A1 (0.45) ALDH1A1
SCHEMBL28336524 0.76 ALDH1A1 (0.45) ALDH1A1
SCHEMBL11069331 0.76 ALDH1A1 (0.45) ALDH1A1
SCHEMBL7459531 0.74 ALDH1A1 (0.46) CHRM1CHRM2CHRM5CHRM3ESR1
SCHEMBL11236830 0.74 ALDH1A1 (0.46) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015006801-A1 IMPROVED BIO-REPELLENT HYGIENE SYSTEM WHITELEY CORPORATION PTY LTD (AU) 2015-01-22 WO claimed
EP-0525892-A1 Liquid household cleaning composition with insect repellent Colgate-Palmolive Company (US) 1993-02-03 EP claimed
WO-1991008670-A1 PESTICIDAL COMPOSITION COMPRISING AZADIRACHTIN, DIALKYLTOLUAMIDE AND OIL (GERANIOL AND/OR CITRONELLAL) GUERRINI VINCENT HENRY (AU) 1991-06-27 WO claimed
EP-4208019-A1 USE OF ERYTHRITOL COMPOSITIONS AS MAMMAL-SAFE INSECTICIDES Drexel University (US) 2023-07-12 EP disclosed
US-20220061319-A1 Use of Erythritol Compositions As Mammal-Safe Insecticides NATIONAL SCIENCE FOUNDATION 2022-03-03 US disclosed
US-20210341440-A1 Systems and Methods for Pesticide Detection PERKINELMER U.S. LLC 2021-11-04 US disclosed
US-10914713-B2 Systems and methods for pesticide detection using mass spectroscopy PERKINELMER HEALTH SCIENCES, INC. (US) 2021-02-09 US disclosed
EP-3231285-B1 METHOD FOR MOSQUITO CONTROL DOBSON STEPHEN (US) 2020-06-10 EP disclosed
US-20190227041-A1 Systems and Methods for Pesticide Detection PERKINELMER U.S. LLC 2019-07-25 US disclosed
CN-104582480-B Polyamide and polyimides adhesion agent aid 亨斯迈石油化学有限责任公司 2018-12-11 CN disclosed
WO-2018102401-A1 MIXTURES OF SABADILLA ALKALOIDS AND N-OCTYL BICYCLOHEPTENE DICARBOXIMIDE AND USES THEREOF MCLAUGHLIN GORMLEY KING COMPANY (US) 2018-06-07 WO disclosed
WO-1991007171-A1 LIPOSPHERES FOR CONTROLLED DELIVERY OF SUBSTANCES NOVA PHARMACEUTICAL CORPORATION (US) 1991-05-30 WO disclosed
US-4963591-A CELLULOSE ETHER IN LOWER ALIPHATIC ALCOHOL SOLVENT CARTER-WALLACE INC. (US) 1990-10-16 US disclosed
EP-0157032-B1 LIQUID DISPENSING COMB TEXAS ROMEC, INC. (US) 1989-05-24 EP disclosed
US-4585018-A Liquid dispensing comb TEXAS ROMEC, INC. (US) 1986-04-29 US disclosed
EP-0157032-A1 Liquid dispensing comb TEXAS ROMEC, INC. (US) 1985-10-09 EP disclosed
US-4457910-A WATER-INSOLUBLE NONIONIC SURFACTANT ZARLEY, MCKEE, THOMTE, VOORHEES & SEASE (US) 1984-07-03 US disclosed
US-4335104-A TOPICAL COSMETIC OR INSECT REPELLENT UNITED CHEMICAL CORPORATION (US) 1982-06-15 US disclosed
EP-0016203-A1 ANHYDROUS MULTI-PURPOSE MOISTURIZING COMPOSITION UNITED CHEMICAL CORPORATION (US) 1980-10-01 EP disclosed
WO-1980000410-A1 ANHYDROUS MULTI-PURPOSE MOISTURIZING COMPOSITION UNITED CHEM CORP (US) 1980-03-20 WO disclosed