SCHEMBL5570752

SCHEMBL5570752

C=CCCN(CCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14493087 0.89 TSHR (0.40) TSHR
SCHEMBL4775369 0.85 TSHR (0.39) TSHR
Hydrochloric Acid SCHEMBL11061269 0.84 CYP1A2 (0.44) TSHRKDM4E
SCHEMBL14433201 0.83
Trolamine SCHEMBL8562272 0.79 MAPT (0.35) TSHRMAPTKDM4EALOX15SMN1; SMN2
Trolamine SCHEMBL28181964 0.78 MAPT (0.44) TSHRMAPTKDM4EALOX15SMN1; SMN2
Trolamine SCHEMBL9856574 0.78 TSHR (0.35) TSHRMAPTKDM4EALOX15SMN1; SMN2
Trolamine SCHEMBL28862252 0.78 TSHR (0.35) TSHRMAPTKDM4EALOX15SMN1; SMN2
Trolamine SCHEMBL28950832 0.77 MAPT (0.40) TSHRMAPTKDM4EALOX15SMN1; SMN2
Trolamine SCHEMBL10615736 0.77 MAPT (0.40) TSHRMAPTKDM4EALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297382-B2 Ink-jet recording material AGFA-GEVAERT (BE) 2007-11-20 US disclosed
US-7297382-B2 Ink-jet recording material AGFA-GEVAERT (BE) 2007-11-20 US disclosed
US-7208448-B2 In an amine or nitrile embedded passivated hydrogenation catalyst AKZO NOBEL N.V. (NL) 2007-04-24 US disclosed
US-20050124833-A1 In an amine or nitrile embedded passivated hydrogenation catalyst AKZO NOBEL N.V. (NL) 2005-06-09 US disclosed
EP-1490174-A1 IN AN AMINE OR NITRILE EMBEDDED PASSIVATED HYDROGENATION CATALYST Akzo Nobel N.V. (NL) 2004-12-29 EP disclosed
WO-2003080243-A1 IN AN AMINE OR NITRILE EMBEDDED PASSIVATED HYDROGENATION CATALYST AKZO NOBEL N.V. (NL) 2003-10-02 WO disclosed