SCHEMBL3449181

SCHEMBL3449181

C=C(C)C(=O)OCCC1CCC(OP(=O)(O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 0.37
INPP5A Q14642 1/20 0.35
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 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
SCHEMBL3449179 0.86 THRB (0.40) THRBALDH1A1TSHR
SCHEMBL2782247 0.84 THRB (0.50) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL28095095 0.81 THRB (0.49) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL19844221 0.80 THRB (0.46) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL19844232 0.80 THRB (0.46) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL1973419 0.79 THRB (0.44) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL9979756 0.78 THRB (0.42) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL23494221 0.78 THRB (0.47) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL19844228 0.77 THRB (0.41) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL16874410 0.77 THRB (0.46) THRBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7815434-B2 Dental coating kit KURARAY MEDICAL INC. (JP) 2010-10-19 US disclosed
EP-1550428-B1 DENTAL COATING KIT KURARAY MEDICAL INC (JP) 2009-03-18 EP disclosed
US-20060078510-A1 Dental coating kit KURARAY MEDICAL INC. (JP) 2006-04-13 US disclosed
EP-1550428-A1 DENTAL COATING KIT Kuraray Medical Inc. (JP) 2005-07-06 EP disclosed