SCHEMBL9285253

SCHEMBL9285253

C=CC[S+](CC=C)c1ccc(O)cc1.F[B-](F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
CA12 O43570 1/20 0.31
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CA3 P07451 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 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
SCHEMBL616822 0.92 MAPT (0.36) ALDH5A1ABATKDM4EMEN1NPC1
SCHEMBL11085212 0.76 MAPT (0.33) ALDH5A1ABATKDM4EMEN1NPC1
SCHEMBL8757698 0.75 CYP1A2 (0.37) CA12CA1CA2LMNACA3
SCHEMBL13146739 0.72 MAPT (0.33) ALDH5A1ABATKDM4EMEN1NPC1
SCHEMBL2469938 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8046128 0.69 ESR1 (0.41) KDM4EALDH1A1LMNACYP3A4TYR
SCHEMBL7565374 0.64 ALDH1A1 (0.31) ALDH1A1
SCHEMBL31461091 0.63 ESR1 (0.42) KDM4EMEN1NPC1CA12GMNN
Phenol SCHEMBL17422908 0.63 CA12 (0.44) MEN1CA12ALDH1A1CA1CA2
SCHEMBL3139535 0.63 MMP3 (0.48) KDM4EMEN1NPC1CA12GMNN

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-0295344-A1 Imaging material and an image-forming process THE MEAD CORPORATION (US) 1988-12-21 EP claimed
US-5395862-A Photoinitiators based on fluorone compounds, dosimeters, photoresists, free radical polymerization catalysts SPECTRA GROUP LIMITED, INC. (US) 1995-03-07 US disclosed
EP-0434437-A2 Photohardenable or thermohardenable compositions and photosensitive materials utilising such photohardenable compositions THE MEAD CORPORATION (US) 1991-06-26 EP disclosed
US-4876172-A Imaging method employing photoadhesive microparticles THE MEAD CORPORATION (US) 1989-10-24 US disclosed
EP-0295344-A1 Imaging material and an image-forming process THE MEAD CORPORATION (US) 1988-12-21 EP disclosed
US-4788125-A CATIONICALLY DEPOLYMERIZABLE POLYMER AND PHOTOINITIATOR; LASER SCANNING THE MEAD CORPORATION (US) 1988-11-29 US disclosed