SCHEMBL3871670

SCHEMBL3871670

CCO[SiH](O[SiH](OCC)c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
TP53 P04637 1/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA7 P36544 2/20 0.31
CHRNA4 P43681 2/20 0.31
RELA Q04206 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KCNH2 Q12809 1/20 0.31
GLA P06280 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30

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
SCHEMBL48956 0.91 LTA4H (0.37) LTA4HTP53RELANPSR1L3MBTL1
Cyclopropane SCHEMBL8923230 0.84 LTA4H (0.33) LTA4HTP53RELANPSR1
SCHEMBL3298598 0.84 LTA4H (0.33) LTA4HTP53RELANPSR1
SCHEMBL9697355 0.83 LTA4H (0.32) LTA4HTP53
SCHEMBL19926746 0.81 LTA4H (0.39) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19809233 0.81 LMNA (0.40) LTA4HTP53L3MBTL1GLAALDH1A1
Aniline SCHEMBL28307356 0.79 TSHR (0.42) LTA4HTP53L3MBTL1ALDH1A1TSHR
SCHEMBL16487201 0.78 TAAR1 (0.40) TP53CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31337043 0.78 ALDH1A1 (0.34) NPSR1L3MBTL1ALDH1A1TSHR
SCHEMBL676008 0.78 NQO1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090096106-A1 ANTIREFLECTIVE COATINGS AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-04-16 US claimed
EP-2048700-A2 Antireflective coatings Air Products and Chemicals, Inc. (US) 2009-04-15 EP claimed
CN-101441415-A Antireflective coatings AIR PROD & CHEM (US) 2009-05-27 CN disclosed
US-20090096106-A1 ANTIREFLECTIVE COATINGS AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-04-16 US disclosed
EP-2048700-A2 Antireflective coatings Air Products and Chemicals, Inc. (US) 2009-04-15 EP disclosed