SCHEMBL996007

SCHEMBL996007

OCCCC(O)C(CCO)CCCO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL4850732 0.90 TRPV1 (0.37) THRBLMNAPTPN1
SCHEMBL3708212 0.89 PTPN1 (0.35) LMNAPTPN1
SCHEMBL1043717 0.86 LMNA (0.41) THRBLMNAPTPN1
SCHEMBL21477 0.83 LMNA (0.42) THRBLMNAPTPN1
SCHEMBL28214899 0.80 LMNA (0.50) LMNAPTPN1
SCHEMBL26921972 0.80 LMNA (0.44) THRBLMNAPTPN1
Ammonia Solution, Strong SCHEMBL2032858 0.79 THRB (0.40) THRBLMNA
SCHEMBL1900252 0.79 THRB (0.40) THRBLMNAPTPN1
SCHEMBL2640053 0.79 LMNA (0.48) LMNAPTPN1
SCHEMBL6691849 0.79 LMNA (0.53) LMNAPTPN1

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
EP-2452230-A1 TONER RESINS FOR ELECTRONIC COPYING PURPOSES BASF SE (DE) 2012-05-16 EP claimed
WO-2011003898-A1 TONER RESINS FOR ELECTRONIC COPYING PURPOSES BASF SE (DE) 2011-01-13 WO claimed