SCHEMBL21753440

SCHEMBL21753440

C=C(C)C(=O)ONCCNCCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
PAOX Q6QHF9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ACHE P22303 6/20 0.34
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR2 O95136 5/20 0.33
S1PR4 O95977 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL4609619 0.89 TSHR (0.48) TSHRALDH1A1ACHETHRB
SCHEMBL28507521 0.87 TSHR (0.47) TSHRALDH1A1ACHETHRB
SCHEMBL8154331 0.84 TSHR (0.52) TSHRALDH1A1THRB
Trimethylammonium SCHEMBL27807076 0.83 TSHR (0.43) TSHRALDH1A1ACHETHRB
SCHEMBL20427935 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL18725606 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL27489106 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL16176196 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL27643100 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL7153803 0.81 ALDH1A1 (0.46) TSHRPAOXALDH1A1GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3840863-A1 FORMING A TREATED SWITCHABLE POLYMER AND USE THEREOF IN A FORWARD OSMOSIS SYSTEM Queen's University At Kingston (CA) 2021-06-30 EP claimed
WO-2020037432-A1 FORMING A TREATED SWITCHABLE POLYMER AND USE THEREOF IN A FORWARD OSMOSIS SYSTEM QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-02-27 WO claimed
EP-3840863-A1 FORMING A TREATED SWITCHABLE POLYMER AND USE THEREOF IN A FORWARD OSMOSIS SYSTEM Queen's University At Kingston (CA) 2021-06-30 EP disclosed
WO-2020037432-A1 FORMING A TREATED SWITCHABLE POLYMER AND USE THEREOF IN A FORWARD OSMOSIS SYSTEM QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-02-27 WO disclosed