SCHEMBL18263258

SCHEMBL18263258

CC1(C)C(/C=C/C2=C(Cl)/C(=C\C=C3/N(CCCCS(=O)(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.57
FOLH1 Q04609 4/20 0.48
FOLR1 P15328 6/20 0.47
HTR1A P08908 1/20 0.46
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
PGR P06401 1/20 0.45
ADRB1 P08588 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CNR1 P21554 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL15095695 1.00 PTPN1 (0.57) PTPN1FOLH1FOLR1HTR1ACHRM1
SCHEMBL18263260 1.00 PTPN1 (0.57) PTPN1FOLH1FOLR1HTR1ACHRM1
Water SCHEMBL17099467 0.99 PTPN1 (0.57) PTPN1FOLH1FOLR1HTR1ACHRM1
Water SCHEMBL17099468 0.99 PTPN1 (0.57) PTPN1FOLH1FOLR1HTR1ACHRM1
Water SCHEMBL30750796 0.99 PTPN1 (0.57) PTPN1FOLH1FOLR1HTR1ACHRM1
SCHEMBL24663017 0.97 PTPN1 (0.54) PTPN1FOLH1FOLR1HTR1ACHRM1
SCHEMBL17694083 0.97 PTPN1 (0.54) PTPN1FOLH1FOLR1HTR1ACHRM1
SCHEMBL24699840 0.96 PTPN1 (0.58) PTPN1FOLH1FOLR1HTR1ACHRM1
SCHEMBL16609775 0.96 PTPN1 (0.53) PTPN1FOLH1FOLR1HTR1ACHRM1
SCHEMBL9999876 0.96 PTPN1 (0.53) PTPN1FOLH1FOLR1HTR1ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302577-B1 OPTIMISED MULTIVALENT TARGETING FLUORESCENT TRACER FLUOPTICS (FR) 2019-06-26 EP claimed
EP-3302577-A1 OPTIMISED MULTIVALENT TARGETING FLUORESCENT TRACER Fluoptics (FR) 2018-04-11 EP claimed
WO-2016189007-A1 OPTIMISED MULTIVALENT TARGETING FLUORESCENT TRACER FLUOPTICS (FR) 2016-12-01 WO claimed
EP-3302576-B1 MULTIVALENT TARGETING FLUORESCENT TRACER IN THE NEAR INFRARED RANGE FOR OPTICAL IMAGING FLUOPTICS (FR) 2021-04-28 EP disclosed
EP-3302577-B1 OPTIMISED MULTIVALENT TARGETING FLUORESCENT TRACER FLUOPTICS (FR) 2019-06-26 EP disclosed
EP-3302576-A1 MULTIVALENT TARGETING FLUORESCENT TRACER IN THE NEAR INFRARED RANGE FOR OPTICAL IMAGING Fluoptics (FR) 2018-04-11 EP disclosed
EP-3302577-A1 OPTIMISED MULTIVALENT TARGETING FLUORESCENT TRACER Fluoptics (FR) 2018-04-11 EP disclosed
WO-2016189007-A1 OPTIMISED MULTIVALENT TARGETING FLUORESCENT TRACER FLUOPTICS (FR) 2016-12-01 WO disclosed
WO-2016189004-A1 MULTIVALENT TARGETING FLUORESCENT TRACER IN THE NEAR INFRARED RANGE FOR OPTICAL IMAGING FLUOPTICS (FR) 2016-12-01 WO disclosed