SCHEMBL28045192

SCHEMBL28045192

CC(C)(C)C(C)(N)OCCO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL11166655 0.83
SCHEMBL11206446 0.78 TSHR (0.35) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL7040799 0.78
SCHEMBL6141897 0.78
SCHEMBL12219347 0.72 TSHR (0.35) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL870738 0.72
SCHEMBL18815089 0.72
SCHEMBL8465970 0.71 TSHR (0.39) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL6428112 0.71 TSHR (0.39) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL12547206 0.71 TSHR (0.39) ALDH1A1TSHRMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105517690-A Optimization of stripper feed configuration for rich/lean solvent regeneration DOW GLOBAL TECHNOLOGIES INC 2016-04-20 CN disclosed