SCHEMBL3458306

SCHEMBL3458306

CCC(O)CCC(O)CCC=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.35
GAPDH P04406 1/20 0.33
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL2457435 0.95
SCHEMBL28125219 0.91 ALDH1A1 (0.38) ALDH1A1TSHRGAPDHMAPK1TDP1
SCHEMBL6138531 0.83
SCHEMBL8449959 0.81
SCHEMBL16925592 0.81
SCHEMBL28733330 0.81 ALDH1A1 (0.35) ALDH1A1MAPK1
SCHEMBL4069901 0.79 TSHR (0.50) ALDH1A1TSHRGAPDH
SCHEMBL20610730 0.79 TSHR (0.46) ALDH1A1TSHRGAPDH
SCHEMBL30912803 0.79 TSHR (0.44) TSHR
SCHEMBL580295 0.78 GAPDH (0.34) ALDH1A1TSHRGAPDHMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855311-B2 Formation of hydroxycarbonyl compounds CARTER MELVIN K 2010-12-21 US disclosed
US-20100234644-A1 Formation of hydroxycarbonl compounds CARTER TECHNOLOGIES (US) 2010-09-16 US disclosed