SCHEMBL6561478

SCHEMBL6561478

CCCCCCCC[N+]1([O-])CCNC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 7/20 0.40
GNAO1 P09471 7/20 0.40
GNAI1 P63096 7/20 0.40
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL7061616 1.00 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL6890839 1.00 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL3661326 0.98 GNAI3 (0.38) GNAI3GNAO1GNAI1
SCHEMBL8512227 0.92 GNAI3 (0.32) GNAI3GNAO1GNAI1
SCHEMBL8160090 0.86 GNAO1 (0.43) GNAI3GNAO1GNAI1
SCHEMBL11597294 0.81
SCHEMBL11595655 0.78
SCHEMBL3513744 0.76
SCHEMBL11594967 0.76
SCHEMBL727413 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976796-B1 Cyclic urea surfactants AIR PROD & CHEM (US) 2004-09-22 EP claimed
US-6262156-B1 FOR WATER-BASED COMPOSITIONS, PARTICULARLY COATING, INK, AND AGRICULTURAL COMPOSITIONS, MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION BY INCORPORATION OF A SURFACE TENSION REDUCING CERTAIN CYCLIC UREA COMPOUNDS AIR PRODUCTS AND CHEMICALS, INC. 2001-07-17 US claimed
US-6238849-B1 CLEANING COMPOSITIONS MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2001-05-29 US claimed
EP-0976796-A2 Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-02-02 EP claimed
US-5972431-A Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-10-26 US claimed
EP-0976796-B1 Cyclic urea surfactants AIR PROD & CHEM (US) 2004-09-22 EP disclosed
US-6262156-B1 FOR WATER-BASED COMPOSITIONS, PARTICULARLY COATING, INK, AND AGRICULTURAL COMPOSITIONS, MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION BY INCORPORATION OF A SURFACE TENSION REDUCING CERTAIN CYCLIC UREA COMPOUNDS AIR PRODUCTS AND CHEMICALS, INC. 2001-07-17 US disclosed
US-6238849-B1 CLEANING COMPOSITIONS MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2001-05-29 US disclosed
US-6179906-B1 REDUCING SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2001-01-30 US disclosed
EP-0976796-A2 Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-02-02 EP disclosed
US-5972431-A Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-10-26 US disclosed