SCHEMBL28528977

SCHEMBL28528977

CC(C)(C)OCCO.[AlH3].[LiH]

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL28041169 0.97
SCHEMBL35822 0.94
Fluoride SCHEMBL1629162 0.91
Potassium SCHEMBL31590863 0.91
SCHEMBL27974695 0.91
Ethylene Glycol SCHEMBL27616494 0.91 MAPK1 (0.38) MAPK1TSHRALDH1A1MEN1KMT2A
Methoxymethane SCHEMBL2878577 0.88 MAPK1 (0.36) MAPK1TSHRALDH1A1MEN1KMT2A
Acetic Acid SCHEMBL28275735 0.83 FFAR3 (0.37) MAPK1TSHRALDH1A1MEN1KMT2A
SCHEMBL20398411 0.81 MEN1 (0.55) MAPK1TSHRALDH1A1MEN1KMT2A
Sulfuric Acid SCHEMBL4919767 0.81 MAPK1 (0.32) MAPK1TSHRALDH1A1CYP4F2CYP4A11

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-112239407-A Diester compound having dimethylcyclobutane ring, process for producing the same, and process for producing dimethylcyclobutane compound derived therefrom 信越化学工业株式会社 2021-01-19 CN disclosed