SCHEMBL7785353

SCHEMBL7785353

C=C(CCCN(C)C)C(=O)OCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
DNM1 Q05193 6/20 0.51
NAAA Q02083 1/20 0.47
THRB P10828 4/20 0.43
THRA P10827 3/20 0.43
LSS P48449 1/20 0.42
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
HTR2C P28335 1/20 0.40

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
SCHEMBL8349322 1.00 TSHR (0.56) TSHRDNM1NAAATHRBTHRA
Bromide SCHEMBL7779909 0.98 TSHR (0.54) TSHRDNM1NAAATHRBTHRA
SCHEMBL21227079 0.92 DNM1 (0.53) TSHRDNM1NAAATHRBTHRA
SCHEMBL1605383 0.89 DNM1 (0.66) TSHRDNM1NAAATHRBTHRA
SCHEMBL28015079 0.89 DNM1 (0.44) TSHRDNM1THRBTHRALSS
SCHEMBL4413592 0.88 TSHR (0.56) TSHRDNM1NAAATHRBTHRA
SCHEMBL3477186 0.87 TSHR (0.67) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL6357524 0.87 TSHR (0.67) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL1133209 0.87 TSHR (0.67) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL20604286 0.87 TSHR (0.67) TSHRNAAARAD52NPSR1EPHX1

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
EP-0948548-B1 ANTIMICROBIAL POLYMERS COMPRISING QUATERNARY AMMONIUM GROUPS, THEIR USE FOR MAKING A MATERIAL WITH ANTIMICROBIAL PROPERTIES AND METHODS FOR PREPARING THEM CATALYSE (FR) 2001-11-14 EP claimed
EP-0948548-A1 ANTIMICROBIAL POLYMERS COMPRISING QUATERNARY AMMONIUM GROUPS, THEIR USE FOR MAKING A MATERIAL WITH ANTIMICROBIAL PROPERTIES AND METHODS FOR PREPARING THEM Catalyse (FR) 1999-10-13 EP claimed
WO-1998029463-A1 ANTIMICROBIAL POLYMERS COMPRISING QUATERNARY AMMONIUM GROUPS, THEIR USE FOR MAKING A MATERIAL WITH ANTIMICROBIAL PROPERTIES AND METHODS FOR PREPARING THEM CATALYSE (FR) 1998-07-09 WO claimed
EP-0948548-B1 ANTIMICROBIAL POLYMERS COMPRISING QUATERNARY AMMONIUM GROUPS, THEIR USE FOR MAKING A MATERIAL WITH ANTIMICROBIAL PROPERTIES AND METHODS FOR PREPARING THEM CATALYSE (FR) 2001-11-14 EP disclosed
EP-0948548-A1 ANTIMICROBIAL POLYMERS COMPRISING QUATERNARY AMMONIUM GROUPS, THEIR USE FOR MAKING A MATERIAL WITH ANTIMICROBIAL PROPERTIES AND METHODS FOR PREPARING THEM Catalyse (FR) 1999-10-13 EP disclosed
WO-1998029463-A1 ANTIMICROBIAL POLYMERS COMPRISING QUATERNARY AMMONIUM GROUPS, THEIR USE FOR MAKING A MATERIAL WITH ANTIMICROBIAL PROPERTIES AND METHODS FOR PREPARING THEM CATALYSE (FR) 1998-07-09 WO disclosed