SCHEMBL21462997

SCHEMBL21462997

C=CC(=O)O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL7183975 0.81
SCHEMBL21612741 0.78 TSHR (0.35) TSHRALDH1A1
SCHEMBL21462998 0.77 TSHR (0.34) TSHR
SCHEMBL7576570 0.77 THRA (0.30)
SCHEMBL7576855 0.74 THRA (0.31)
SCHEMBL6053988 0.72 CES2 (0.33) ALDH1A1CYP3A4CES2CES1
SCHEMBL5699088 0.72 THRB (0.32) TSHRHPGD
SCHEMBL5699112 0.72 TSHR (0.31) TSHR
SCHEMBL7190695 0.72 TSHR (0.40) TSHRHPGD
SCHEMBL21462902 0.72 ALDH1A1 (0.38) TSHRALDH1A1CES2CES1

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
WO-2019198654-A1 ANTIFOULING COATING COMPOSITION 日東化成株式会社 2019-10-17 WO disclosed