SCHEMBL2539052

SCHEMBL2539052

NCC(O)CCOCCO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 2/20 0.32
MAPT P10636 1/20 0.32
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL864266 0.80 TSHR (0.53) TSHRMAPK1MEN1KMT2AHTT
SCHEMBL2441539 0.78
SCHEMBL9643980 0.78 MEN1 (0.55) TSHRMAPK1MEN1KMT2AHTT
SCHEMBL11045239 0.78 TSHR (0.50) TSHRMAPK1MEN1KMT2AHTT
SCHEMBL6694565 0.78 TSHR (0.50) TSHRMAPK1MEN1KMT2AHTT
SCHEMBL28804657 0.78 MEN1 (0.55) TSHRMAPK1MEN1KMT2AHTT
SCHEMBL11599113 0.75
SCHEMBL25902418 0.74 TSHR (0.46) TSHRMAPK1MEN1KMT2AHTT
SCHEMBL29069354 0.74
SCHEMBL10872413 0.74 THRB (0.50) TSHRMAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45240-E1 Process for preparing pure triethanolamine (TEOA) BASF SE (DE) 2014-11-11 US disclosed
US-8466323-B2 Process for preparing pure triethanolamine (TEOA) BASF SE (DE) 2013-06-18 US disclosed
US-20110257437-A1 PROCESS FOR PREPARING PURE TRIETHANOLAMINE (TEOA) BASF SE (DE) 2011-10-20 US disclosed
EP-0438593-B1 POSITIVE COEFFICIENT THIN-FILM THERMISTOR MITSUI TOATSU CHEMICALS (JP) 1995-08-16 EP disclosed
US-5214738-A POSITIVE COEFFICIENT THIN-FILM THERMISTOR MITSUI TOATSU CHEMICALS, INC. (JP) 1993-05-25 US disclosed
EP-0438593-A1 POSITIVE COEFFICIENT THIN-FILM THERMISTOR MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-07-31 EP disclosed