SCHEMBL14894597

SCHEMBL14894597

COCCCNC(C(C)C)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
ADRB2 P07550 1/20 0.30
LMNA P02545 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL28258356 0.83 ALDH1A1 (0.35) ALDH1A1GAATSHRPOLBHPGD
SCHEMBL2856264 0.79
SCHEMBL6857135 0.74 ALDH1A1 (0.39) ALDH1A1GAATSHRPOLBHPGD
SCHEMBL8262524 0.73
SCHEMBL19319098 0.71 ALDH1A1 (0.36) ALDH1A1GAATSHRPOLBHPGD
SCHEMBL28256836 0.71 ALDH1A1 (0.37) ALDH1A1GAATSHRPOLBHPGD
SCHEMBL6846735 0.70
SCHEMBL35210732 0.69 TSHR (0.43) ALDH1A1GAATSHRPOLBHPGD
SCHEMBL5116276 0.68 ALDH1A1 (0.38) ALDH1A1GAATSHRPOLBHPGD
SCHEMBL2162379 0.68 PIK3CD (0.36) ALDH1A1GAATSHRPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397671-A1 NOVEL POLYAMINES, SYNTHESIS PROCESS THEREOF AND USE OF SAME FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 IFP Energies nouvelles (FR) 2018-11-07 EP claimed
WO-2017097716-A1 NOVEL POLYAMINES, SYNTHESIS PROCESS THEREOF AND USE OF SAME FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 IFP Energies Nouvelles (FR) 2017-06-15 WO claimed
EP-2771095-A1 ABSORBENT TERTIARY MONOALKANOLAMINE SOLUTION BELONGING TO THE 3-ALCOXYPROPYLAMINE FAMILY, AND METHOD FOR REMOVING ACIDIC COMPOUNDS CONTAINED IN A GAS EFFLUENT IFP Energies Nouvelles (FR) 2014-09-03 EP claimed
WO-2013060944-A1 ABSORBENT TERTIARY MONOALKANOLAMINE SOLUTION BELONGING TO THE 3-ALCOXYPROPYLAMINE FAMILY, AND METHOD FOR REMOVING ACIDIC COMPOUNDS CONTAINED IN A GAS EFFLUENT IFP Energies Nouvelles (FR) 2013-05-02 WO claimed
EP-3397671-A1 NOVEL POLYAMINES, SYNTHESIS PROCESS THEREOF AND USE OF SAME FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 IFP Energies nouvelles (FR) 2018-11-07 EP disclosed
WO-2017097716-A1 NOVEL POLYAMINES, SYNTHESIS PROCESS THEREOF AND USE OF SAME FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 IFP Energies Nouvelles (FR) 2017-06-15 WO disclosed
WO-2016142125-A1 ABSORBENT SOLUTION BASED ON AMINES COMPRISING A TERTIARY POLYETHERALKANOLAMINE, AND PROCESS FOR SELECTIVE ELIMINATION OF HYDROGEN SULPHIDE FROM A GASEOUS EFFLUENT COMPRISING CARBON DIOXIDE IFP Energies Nouvelles (FR) 2016-09-15 WO disclosed
WO-2016142126-A1 NOVEL TERTIARY POLYETHER ALKANOLAMINES, METHOD FOR SYNTHESIS THEREOF, AND USE OF SAME FOR THE SELECTIVE REMOVAL OF THE HYDROGEN SULPHIDE FROM A GAS EFFLUENT COMPRISING CARBON DIOXIDE IFP Energies Nouvelles (FR) 2016-09-15 WO disclosed