SCHEMBL3415053

SCHEMBL3415053

Cc1cccc(CCl)c1C.[AlH3]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TRPA1 O75762 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PON1 P27169 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
TNF P01375 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
MEN1 O00255 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
SCHEMBL608412 0.98 ESR1 (0.44) ESR1ESR2TRPA1ATMMAPT
SCHEMBL29668555 0.98 ESR1 (0.44) ESR1ESR2TRPA1ATMMAPT
Ammonia Solution, Strong SCHEMBL251115 0.95 ESR1 (0.43) ESR1ESR2TRPA1ATMMAPT
Ammonia Solution, Strong SCHEMBL5872057 0.93 ESR1 (0.42) ESR1ESR2TRPA1ATMMAPT
SCHEMBL6914998 0.85 TSHR (0.38) ESR1ESR2TRPA1ATMMAPT
Allylamine SCHEMBL6693480 0.82 ESR1 (0.39) ESR1ESR2TRPA1ATMMAPT
SCHEMBL5973889 0.82 CYP3A4 (0.43) ESR1ESR2TRPA1ATMMAPT
SCHEMBL11855414 0.79 ESR1 (0.42) ESR1ESR2TRPA1ATMMAPT
SCHEMBL28356514 0.79 CD274 (0.44) MAPTTP53GAAMAPK1HSD17B10
Dodecylamine SCHEMBL10778090 0.78 DNM1 (0.42) TAAR1MEN1KMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373455-B1 METHODS AND COMPOSITIONS FOR CLEANING, RINSING, AND ANTIMICROBIAL TREATMENT OF MEDICAL EQUIPMENT ECOLAB INC (US) 2010-03-03 EP disclosed
US-20040048760-A1 Methods and compositions for cleaning, rinsing, and antimicrobial treatment of medical equipment ECOLAB INC. 2004-03-11 US disclosed
EP-1373455-A2 METHODS AND COMPOSITIONS FOR CLEANING, RINSING, AND ANTIMICROBIAL TREATMENT OF MEDICAL EQUIPMENT ECOLAB INC. (US) 2004-01-02 EP disclosed
US-6632291-B2 Cleaning using mixture of solid carbonate and microbiocide ECOLAB INC. 2003-10-14 US disclosed
US-20020173437-A1 Methods and compositions for cleaning, rinsing, and antimicrobial treatment of medical equipment ECOLAB USA INC. 2002-11-21 US disclosed
WO-2002077149-A2 METHODS AND COMPOSITIONS FOR CLEANING, RINSING, AND ANTIMICROBIAL TREATMENT OF MEDICAL EQUIPMENT ECOLAB INC. (US) 2002-10-03 WO disclosed
EP-0182461-B1 SOLID RINSE AIDS AND METHODS OF WAREWASHING UTILIZING SOLID RINSE AIDS ECOLAB INC. (US) 1988-12-07 EP disclosed
US-4624713-A UREA, ETHYLENE OXIDE-PROPYLENE OXIDE BLOCK POLYMER ECONOMICS LABORATORY, INC. (US) 1986-11-25 US disclosed
EP-0182461-A1 Solid rinse aids and methods of warewashing utilizing solid rinse aids ECOLAB INC. (US) 1986-05-28 EP disclosed