SCHEMBL6565224

SCHEMBL6565224

CCC(O)N(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 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
SCHEMBL24471272 0.80
SCHEMBL975264 0.80 FDPS (0.42) TSHR
SCHEMBL28056858 0.79 MAPT (0.39) MAPTTSHR
SCHEMBL11173115 0.78 MAPT (0.36) MAPTTSHRALDH1A1ALDH2
SCHEMBL28402495 0.77
SCHEMBL27680016 0.77 MAPT (0.33) MAPTALDH1A1
SCHEMBL381408 0.76 MMP1 (0.37) TSHRALDH1A1ALDH2
SCHEMBL8700624 0.76 TSHR (0.32) TSHR
SCHEMBL16105557 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11153349 0.74 MAPT (0.38) MAPTALDH1A1ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835891-B1 Water-dispersible blocked isocyanate composition, and water-base paint composition and water base adhesive composition using the same NIPPON POLYURETHANE KOGYO KK (JP) 2004-03-31 EP disclosed
US-6080812-A TRIMERIZING A DIISOCYANATE-DIOL-DIISOCYANATE CONDENSATION PRODUCT TO FORM ISOCYANURATE MACROMOLECULAR MONOMER, REACTING WITH HYDROPHILIC SURFACTANT TO FORM A URETHANE/ISOCYANURATE COPOLYMER, THEN BLOCKING REMAINING ISOCYANATE GROUPS NIPPON POLYURETHANE INDUSTRY C. LTD. (JP) 2000-06-27 US disclosed
US-5998539-A ISOCYANATE BLOCKED WITH AN ALCOHOL NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) 1999-12-07 US disclosed
EP-0835891-A1 Water-dispersible blocked isocyanate composition, and water-base paint composition and water base adhesive composition using the same Nippon Polyurethane Industry Co. Ltd. (JP) 1998-04-15 EP disclosed