SCHEMBL13294286

SCHEMBL13294286

C(CCOCC1CCCCCO1)CCOCC1CCCCCO1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PDK1 Q15118 1/20 0.40
SPHK2 Q9NRA0 4/20 0.39
SPHK1 Q9NYA1 4/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL13294307 0.92 TSHR (0.50) TSHRALDH1A1TDP1LMNAPOLB
SCHEMBL13423663 0.91 ALDH1A1 (0.66) TSHRALDH1A1TDP1LMNAPOLB
SCHEMBL13455408 0.89 TSHR (0.52) TSHRALDH1A1TDP1LMNAPOLB
SCHEMBL31139039 0.89 ALDH1A1 (0.68) TSHRALDH1A1TDP1LMNAPOLB
SCHEMBL6975491 0.87 TSHR (0.46) TSHRALDH1A1TDP1LMNAPOLB
SCHEMBL12676879 0.87 TSHR (0.65) TSHRALDH1A1TDP1LMNAPOLB
SCHEMBL3356227 0.86 TSHR (0.55) TSHRALDH1A1TDP1LMNAPOLB
SCHEMBL22750898 0.86 ALDH1A1 (0.65) TSHRALDH1A1TDP1LMNAPOLB
SCHEMBL23849829 0.85 ALDH1A1 (0.68) TSHRALDH1A1TDP1LMNAPOLB
SCHEMBL2701059 0.85 ALDH1A1 (0.68) TSHRALDH1A1TDP1LMNAPOLB

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-7728050-B2 Curable composition, ink composition, inkjet recording method, printed matter, method for producing planographic printing plate, planographic printing plate and oxetane compound FUJIFILM CORPORATION (JP) 2010-06-01 US disclosed
US-7728050-B2 Curable composition, ink composition, inkjet recording method, printed matter, method for producing planographic printing plate, planographic printing plate and oxetane compound FUJIFILM CORPORATION (JP) 2010-06-01 US disclosed
US-20070112088-A1 Curable composition, ink composition, inkjet recording method, printer matter, method for producing planographic printing plate, planographic printing plate and oxetane compound FUJIFILM CORPORATION 2007-05-17 US disclosed
US-20070112088-A1 Curable composition, ink composition, inkjet recording method, printer matter, method for producing planographic printing plate, planographic printing plate and oxetane compound FUJIFILM CORPORATION 2007-05-17 US disclosed
EP-1783184-A1 Curable ink composition and oxetane compound Fujifilm Corporation (JP) 2007-05-09 EP disclosed