SCHEMBL3628857

SCHEMBL3628857

CCCCC(C)(OO)OO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.35
FDPS P14324 2/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
SMPD1 P17405 1/20 0.30
GGPS1 O95749 2/20 0.30
THRB P10828 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
SCHEMBL27852365 0.97 TSHR (0.46) TSHRALDH1A1FDPSESR1ESR2
SCHEMBL6872906 0.92 TSHR (0.46) TSHRFDPSSMPD1GGPS1
SCHEMBL3628284 0.90 TSHR (0.44) TSHRFDPSSMPD1GGPS1THRB
SCHEMBL5567695 0.90 TSHR (0.56) TSHRALDH1A1FDPSESR1ESR2
SCHEMBL22777788 0.82
SCHEMBL7934746 0.82 TSHR (0.54) TSHRFDPSSMPD1GGPS1
SCHEMBL8496058 0.80 TSHR (0.52) TSHRFDPSSMPD1GGPS1THRB
SCHEMBL8497257 0.80 TSHR (0.52) TSHRFDPSSMPD1GGPS1THRB
SCHEMBL5549906 0.78
SCHEMBL8026010 0.78 TSHR (0.36) TSHRALDH1A1FDPSESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023190678-A1 ADHESIVE COMPOSITION FOR DENTAL USE 株式会社ジーシー 2023-10-05 WO disclosed
WO-2023188631-A1 GLASS COMPOSITION 株式会社ジーシー 2023-10-05 WO disclosed
WO-2010134678-A2 CETANE NUMBER IMPROVER, FUEL OIL INCLUDING THE SAME, AND TETRAOXANE-BASED COMPOUND KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-25 WO disclosed
US-4483784-A SIZING COMPOSITION WITH EMULSIFIERS AND LUBRICANTS PPG INDUSTRIES, INC. (US) 1984-11-20 US disclosed
US-4440885-A EMULSION OF ORGANIC PEROXIDE, HYDROCARBON SOLVENT AND NONIONIC SURFACTANT, WITH COUPLING AGENT PPG INDUSTRIES, INC. (US) 1984-04-03 US disclosed
US-4377498-A Aqueous peroxide emulsion for use with glass fibers PPG INDUSTRIES, INC. (US) 1983-03-22 US disclosed