SCHEMBL29240709

SCHEMBL29240709

CCCCO[SiH](CCCBr)OCCCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL17937807 0.93 ADRB2 (0.32) ADRB2ADRB1ADRB3
SCHEMBL2006122 0.91 ADRB2 (0.31) ADRB2ADRB1ADRB3TSHR
SCHEMBL8019669 0.88
SCHEMBL706738 0.85 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL704381 0.85 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL706468 0.85 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL706741 0.83 ADRB2 (0.41) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL17937703 0.82
SCHEMBL11332079 0.81 TSHR (0.40) ADRB2ADRB1ADRB3TSHR
SCHEMBL5575092 0.81 TSHR (0.40) ADRB2ADRB1ADRB3TSHR

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-117924347-A Preparation method of monosulfur organosilane coupling agent 江西宏柏新材料股份有限公司 2024-04-26 CN claimed
CN-118580266-A Sulfur silane coupling agent containing polysulfide and continuous preparation method thereof 江西宏柏新材料股份有限公司 2024-09-03 CN disclosed