SCHEMBL31295871

SCHEMBL31295871

C=C(C)C(C)=CCCCC.[Ru]

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
ALDH1A1 P00352 1/20 0.40
EP300 Q09472 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIK1 P39086 1/20 0.32
CCR2 P41597 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
SCHEMBL2529564 0.98 TSHR (0.42) TSHRALDH1A1EP300MEN1CYP3A4
SCHEMBL2529563 0.98 TSHR (0.42) TSHRALDH1A1EP300MEN1CYP3A4
SCHEMBL2533709 0.91 EP300 (0.43) TSHRALDH1A1EP300MEN1CYP3A4
SCHEMBL2533707 0.91 EP300 (0.43) TSHRALDH1A1EP300MEN1CYP3A4
SCHEMBL3349275 0.88 EP300 (0.47) TSHREP300MEN1CYP3A4KMT2A
SCHEMBL3349280 0.88 EP300 (0.47) TSHREP300MEN1CYP3A4KMT2A
SCHEMBL2535782 0.82
SCHEMBL2535783 0.82
Methacrylic Acid SCHEMBL5086093 0.79 EP300 (0.47) TSHRALDH1A1EP300GRIK1
Methacrylic Acid SCHEMBL6425463 0.79 EP300 (0.47) TSHRALDH1A1EP300GRIK1

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-112219258-B Spin-on metallization 弗萨姆材料美国有限责任公司 2024-12-31 CN claimed