SCHEMBL6870640

SCHEMBL6870640

O=C(CC(I)(I)I)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TDP1 Q9NUW8 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
HCAR2 Q8TDS4 1/20 0.51
LMNA P02545 4/20 0.47
CDC25B P30305 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL6868590 0.83 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL22305180 0.83 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL22305184 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL111840 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL10243854 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL23142607 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL27928375 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL12586386 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL8429042 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL1834864 0.80 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209528-B1 Photoresist composition ETERNAL TECHNOLOGY CORP (US) 2015-07-22 EP claimed
US-6818375-B2 FOR MANUFACTURING PRINTED WIRING BOARDS ETERNAL TECHNOLOGY CORPORATION 2004-11-16 US claimed
US-20020132180-A1 Photoresist composition SHIPLEY COMPANY, L.L.C. (US) 2002-09-19 US claimed
EP-1209528-A1 Photoresist composition Shipley Co. L.L.C. (US) 2002-05-29 EP claimed
EP-1209528-B1 Photoresist composition ETERNAL TECHNOLOGY CORP (US) 2015-07-22 EP disclosed
US-6818375-B2 FOR MANUFACTURING PRINTED WIRING BOARDS ETERNAL TECHNOLOGY CORPORATION 2004-11-16 US disclosed
US-20020132180-A1 Photoresist composition SHIPLEY COMPANY, L.L.C. (US) 2002-09-19 US disclosed
EP-1209528-A1 Photoresist composition Shipley Co. L.L.C. (US) 2002-05-29 EP disclosed