SCHEMBL9548468

SCHEMBL9548468

CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.O=S(=O)(O)C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.48
EGFR P00533 1/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOA P21397 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL8685616 1.00 DNM1 (0.48) DNM1EGFRMLNRNR1I2ESR1
SCHEMBL5274183 0.92 EGFR (0.47) DNM1EGFRMLNRNR1I2ESR1
SCHEMBL9548461 0.89 DNM1 (0.48) DNM1EGFRMLNRNR1I2ESR1
SCHEMBL8685609 0.89 DNM1 (0.48) DNM1EGFRMLNRNR1I2ESR1
Tetrabuthylammonium SCHEMBL5893078 0.87 EGFR (0.47) EGFRHTTLMNATDP1
SCHEMBL21990555 0.82 BCHE (0.49) EGFRDRD2DRD3OPRK1KCNH2
SCHEMBL21990529 0.82 BCHE (0.49) EGFRDRD2DRD3OPRK1KCNH2
SCHEMBL8994548 0.81 DNM1 (0.63) DNM1EGFRMLNRNR1I2ESR1
SCHEMBL7949065 0.81 EGFR (0.47) DNM1EGFRTDP1
SCHEMBL5274180 0.81 DNM1 (0.41) DNM1EGFRMLNRNR1I2ESR1

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-0268662-B1 HOMOGENEOUS COPOLYMERIZATION OF NON-POLAR MONOMERS WITH IONIC AMPHIPHILIC MONOMERS THE DOW CHEMICAL COMPANY (US) 1993-04-21 EP disclosed
US-5159035-A Addition polymerization in oil phase THE DOW CHEMICAL COMPANY (US) 1992-10-27 US disclosed
US-4933405-A UNSATURATED AMMONIUM STYRENESULFONATES, ZINC MONOALKYL MALEATES OR ITACONATE THE DOW CHEMICAL COMPANY (US) 1990-06-12 US disclosed
EP-0268662-A4 HOMOGENEOUS COPOLYMERIZATION OF NON-POLAR MONOMERS WITH IONIC AMPHIPHILIC MONOMERS. DOW CHEMICAL CO (US) 1988-11-22 EP disclosed
EP-0268662-A1 HOMOGENEOUS COPOLYMERIZATION OF NON-POLAR MONOMERS WITH IONIC AMPHIPHILIC MONOMERS. DOW CHEMICAL CO (US) 1988-06-01 EP disclosed
WO-1987007621-A1 HOMOGENEOUS COPOLYMERIZATION OF NON-POLAR MONOMERS WITH IONIC AMPHIPHILIC MONOMERS THE DOW CHEMICAL COMPANY (US) 1987-12-17 WO disclosed