SCHEMBL10440474

SCHEMBL10440474

C=C[C](CCCC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ALDH1A1 P00352 5/20 0.48
CES1 P23141 3/20 0.41
CES2 O00748 2/20 0.41
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CA1 P00915 1/20 0.36
FAAH O00519 1/20 0.34
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
LMNA P02545 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
AKR1B1 P15121 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
SCHEMBL1533739 0.95 TSHR (0.43) TSHRALDH1A1CES1CES2ZDHHC20
SCHEMBL797999 0.92 TSHR (0.46) TSHRALDH1A1CES1CES2ZDHHC20
SCHEMBL9275817 0.89
SCHEMBL11125330 0.89 TSHR (0.46) TSHRALDH1A1CES1CES2FAAH
SCHEMBL16030163 0.89 TSHR (0.46) TSHRALDH1A1CES1CES2FAAH
SCHEMBL10477517 0.89 TSHR (0.46) TSHRALDH1A1CES1CES2FAAH
SCHEMBL28053085 0.89 TSHR (0.46) TSHRALDH1A1CES1CES2FAAH
SCHEMBL10493547 0.87 TSHR (0.42) TSHRALDH1A1CES1CES2ZDHHC20
SCHEMBL10493658 0.85 TSHR (0.42) TSHRALDH1A1CES1CES2ZDHHC20
SCHEMBL2142091 0.85 TSHR (0.46) TSHRALDH1A1CES1CES2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099837-A1 PROCESS FOR THE GENERATION OF THIN INORGANIC FILMS BASF SE (DE) 2016-12-07 EP disclosed
WO-2015110492-A1 PROCESS FOR THE GENERATION OF THIN INORGANIC FILMS BASF SE (DE) 2015-07-30 WO disclosed
EP-0404503-A1 Boron-containing, silicon nitride-based ceramic shaped body production process Tonen Corporation (JP) 1990-12-27 EP disclosed
EP-0389084-A2 Process for producing a polyborosilazane Tonen Corporation (JP) 1990-09-26 EP disclosed
EP-0248365-A1 Quaternary salts of 2-alkyl imidazolines, process for their production and their use Henkel Kommanditgesellschaft auf Aktien (DE) 1987-12-09 EP disclosed
US-4704212-A SOFTENING, NEUTRALIZATION, DECHLORINATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-11-03 US disclosed
US-4657882-A Supported olefin polymerization catalyst produced from a magnesium alkyl/organophosphoryl complex AMOCO CORPORATION (US) 1987-04-14 US disclosed
EP-0090311-B1 AGENT FOR THE CARE OF TEXTILES Henkel Kommanditgesellschaft auf Aktien (DE) 1986-06-11 EP disclosed
EP-0090311-A1 Agent for the care of textiles Henkel Kommanditgesellschaft auf Aktien (DE) 1983-10-05 EP disclosed
US-4281196-A FABRIC SOFTENERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1981-07-28 US disclosed
EP-0028380-A1 Agent for after-treatment of laundered textiles and method for the after-treatment of textiles in a linen dryer Henkel Kommanditgesellschaft auf Aktien (DE) 1981-05-13 EP disclosed
EP-0011130-A1 Aliphatic aminoether compounds, process for their preparation and their use as fabric softeners Henkel Kommanditgesellschaft auf Aktien (DE) 1980-05-28 EP disclosed