SCHEMBL29136590

SCHEMBL29136590

CC(C)(C)C(O)OCCO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL25354900 0.80 PTGS1 (0.33)
SCHEMBL13882009 0.78
SCHEMBL20370088 0.77 TSHR (0.31) TSHR
SCHEMBL28863476 0.76 ALDH1A1 (0.33) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL27521330 0.75
SCHEMBL28930595 0.75 TSHR (0.40) TSHRALDH1A1
SCHEMBL7952676 0.74 ALDH1A1 (0.32) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL21018055 0.73 CHRM2 (0.38) TSHRALDH1A1MAPK1
SCHEMBL6082935 0.72
2-Ethoxyethanol SCHEMBL10802096 0.72 ALDH1A1 (0.54) TSHRALDH1A1MAPK1MEN1KMT2A

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
CN-117836333-A Free radically polymerizable composition, method of polymerization, and polymerized composition 3M创新有限公司 2024-04-05 CN disclosed
CN-117363124-A Coating liquid composition for display and organic coating film using the same 株式会社特雷尔 2024-01-09 CN disclosed