SCHEMBL28639870

SCHEMBL28639870

C=C(C)C(=O)OC(CC)C[SiH2]OCC

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TSHR P16473 4/20 0.34
ALDH1A1 P00352 2/20 0.32
GLO1 Q04760 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
SCHEMBL27707265 0.81 TSHR (0.33) THRBTSHRALDH1A1
SCHEMBL440616 0.80 TSHR (0.45) THRBTSHRALDH1A1
SCHEMBL28536568 0.79 TSHR (0.36) THRBTSHRALDH1A1
Ammonia Solution, Strong SCHEMBL27784925 0.78 TSHR (0.43) THRBTSHRALDH1A1
Methylamine SCHEMBL27627991 0.76 TSHR (0.42) THRBTSHRALDH1A1
SCHEMBL27527923 0.75 TSHR (0.39) THRBTSHRALDH1A1
SCHEMBL15751384 0.74 TSHR (0.41) THRBTSHRALDH1A1
SCHEMBL159608 0.74 TSHR (0.41) THRBTSHRALDH1A1
SCHEMBL4108307 0.74 TSHR (0.41) THRBTSHRALDH1A1
SCHEMBL23494261 0.74 TSHR (0.46) THRBTSHRALDH1A1

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-113512887-A Multifunctional silica gel and production method and production device thereof 惠州市优泰品豪大昌新材料有限公司 2021-10-19 CN disclosed