SCHEMBL2338524

SCHEMBL2338524

OCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO.OP(O)O.OP(O)O.OP(O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL3872497 0.97 ALDH1A1 (0.33) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL11879933 0.94 ALDH1A1 (0.32) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL157659 0.91 ALDH1A1 (0.37) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL24056316 0.91 ALDH1A1 (0.37) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL15930 0.87 ALDH1A1 (0.39) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL3096124 0.87 ALDH1A1 (0.39) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL3872494 0.85
SCHEMBL8053897 0.84 ALDH1A1 (0.37) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL14022846 0.84 ALDH1A1 (0.37) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL14022831 0.84 ALDH1A1 (0.37) ALDH1A1TSHRTP53CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3418343-B2 TWO-PACKAGE CURABLE SOLVENT-FREE ADHESIVE FOR LAMINATES AND RESIN CURED PRODUCT MITSUI CHEMICALS INC (JP) 2023-12-27 EP disclosed
WO-2023048033-A1 METHOD FOR PRODUCING POLYURETHANE RESIN, AND POLYURETHANE RESIN 三井化学株式会社 2023-03-30 WO disclosed
CN-114702636-A Self-repairing polyurethane resin raw material, self-repairing polyurethane resin, self-repairing coating material and self-repairing elastomer material 三井化学株式会社 2022-07-05 CN disclosed
CN-109890863-B Polyurethane foam, material for clothing, brassiere pad, brassiere cup, and method for producing polyurethane foam 三井化学株式会社 2022-04-05 CN disclosed
EP-2358778-B1 METHOD FOR PREPARING AN ALLOPHANATE, ALLOPHANATE, AND LOW-VISCOSITY COMPOSITION CONTAINING THE ALLOPHANATE VENCOREX FRANCE (FR) 2018-11-28 EP disclosed
US-20170073317-A1 ISOCYANURATE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2017-03-16 US disclosed
US-20170066949-A1 LAMINATE ADHESIVE, METHOD FOR PRODUCING LAMINATE FILM, LAMINATE FILM, AND RETORT POUCH MATERIAL MITSUI CHEMICALS, INC. (JP) 2017-03-09 US disclosed
EP-1970394-B1 METHOD FOR PRODUCING ALLOPHANATE GROUP-CONTAINING POLYISOCYANATE MITSUI CHEMICALS INC (JP) 2013-05-22 EP disclosed
EP-2520598-A2 Process for producing allophanate group-containing polyisocyanates, urethane prepolymers, and polyurethane resin compositions Mitsui Chemicals, Inc. (JP) 2012-11-07 EP disclosed
EP-2358778-A1 METHOD FOR PREPARING AN ALLOPHANATE, ALLOPHANATE, AND LOW-VISCOSITY COMPOSITION CONTAINING THE ALLOPHANATE Perstorp France (FR) 2011-08-24 EP disclosed
WO-2010067005-A1 METHOD FOR PREPARING AN ALLOPHANATE, ALLOPHANATE, AND LOW-VISCOSITY COMPOSITION CONTAINING THE ALLOPHANATE PERSTORP FRANCE (FR) 2010-06-17 WO disclosed
US-20090036630-A1 Process for Producing Allophanate Group-Containing Polyisocyanates, Urethane Prepolymers, and Polyurethane Resin Compositions MITSUI CHEMICALS POLYURETHANES, INC. 2009-02-05 US disclosed
EP-1970394-A1 METHOD FOR PRODUCING ALLOPHANATE GROUP-CONTAINING POLYISOCYANATE, URETHANE PREPOLYMER AND POLYURETHANE RESIN COMPOSITION Mitsui Chemicals Polyurethanes, Inc. (JP) 2008-09-17 EP disclosed