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Sugi Predict / Compounds / SCHEMBL1406233

SCHEMBL1406233

SCHEMBL1406233

CCC(COC(=O)CCC(CC(=O)OC)(C(C)=O)C(=O)OC)(COC(=O)CCC(CC(=O)OC)(C(C)=O)C(=O)OC)COC(=O)CC(CCC(=O)OC)(C(C)=O)C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.32
▸ PTPRB P23467 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ TSHR P16473 3/20 0.32
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 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
SCHEMBL14600835 0.97 USP2 (0.32) PTPN1PTPRBACP1USP2LMNA
SCHEMBL12809536 0.85 TSHR (0.43) PTPRBTSHRUSP2LMNA
SCHEMBL1406235 0.82 — —
SCHEMBL12809727 0.81 TSHR (0.44) PTPRBTSHRLMNA
SCHEMBL14384020 0.81 THRB (0.45) TSHR
SCHEMBL1406429 0.77 TSHR (0.48) PTPRBTSHRLMNA
SCHEMBL1406459 0.76 CYP1A2 (0.39) TSHRLMNA
SCHEMBL26230324 0.74 TSHR (0.54) TSHRLMNA
SCHEMBL14383934 0.73 ALDH1A1 (0.44) TSHR
SCHEMBL14383930 0.73 THRB (0.45) 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
EP-1490412-B1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2011-03-09 — — EP disclosed
US-7166648-B2 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-01-23 — — US disclosed
US-20050256218-A1 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-11-17 — — US disclosed