SCHEMBL4895752

SCHEMBL4895752

C=C(C)C(=O)OCC(O)CCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.35
USP2 O75604 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 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
SCHEMBL35465 0.84 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL11232229 0.83 TSHR (0.59) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL29815516 0.82 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL12094999 0.82 TSHR (0.39) TSHRALDH1A1
SCHEMBL10325273 0.82 TSHR (0.39) TSHRALDH1A1
SCHEMBL3627742 0.81 TSHR (0.49) TSHRALDH1A1THRB
SCHEMBL1398249 0.80 TSHR (0.41) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL29011421 0.80 TSHR (0.41) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL397519 0.79 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL9614395 0.79 TSHR (0.36) TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015282-A1 BIOMEDICAL DEVICES CONTAINING INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE, INC. 2008-01-17 US claimed
CN-113544176-B Monomer composition for contact lens, polymer for contact lens, process for producing the same, and contact lens and process for producing the same 日油株式会社 2023-04-25 CN disclosed
CN-113544176-A Monomer composition for contact lens, polymer for contact lens and method for producing same, and contact lens and method for producing same 日油株式会社 2021-10-22 CN disclosed