SCHEMBL2188513

SCHEMBL2188513

O=C(OCCO)OCCCO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ACHE P22303 7/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MGLL Q99685 1/20 0.32
ATM Q13315 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL575125 0.94 ALDH1A1 (0.38) TSHRACHEALDH1A1CAMK2ACYP3A4
SCHEMBL15440790 0.92 TSHR (0.44) TSHRACHEALDH1A1MAPK1CYP3A4
Ammonia Solution, Strong SCHEMBL28176151 0.92 ACHE (0.36) TSHRACHEALDH1A1CAMK2ACYP3A4
SCHEMBL9287443 0.92 ACHE (0.36) TSHRACHEALDH1A1CAMK2ACYP3A4
SCHEMBL15180221 0.92 TSHR (0.44) TSHRACHEALDH1A1MAPK1CYP3A4
SCHEMBL1200444 0.90 ACHE (0.46) TSHRACHEALDH1A1CYP3A4GPR84
SCHEMBL17368712 0.89 ACHE (0.44) TSHRACHEALDH1A1CYP3A4GPR84
SCHEMBL310740 0.88 TSHR (0.50) TSHRACHEALDH1A1MAPK1MEN1
SCHEMBL575105 0.86 ACHE (0.45) TSHRACHEALDH1A1CAMK2ACYP3A4
SCHEMBL15180220 0.85 TSHR (0.48) TSHRACHEALDH1A1MAPK1MEN1

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
EP-2215144-B1 COPOLYMERS COMPRISING A TRIMETHYLENE CARBONATE AND POLY(TRIMETHYLENE ETHER) GLYCOLS DU PONT (US) 2011-07-13 EP disclosed
US-7790834-B2 Copolymers comprising trimethylene carbonate and poly(trimethylene ether) glycols E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-07 US disclosed
US-20090143555-A1 COPOLYMERS COMPRISING TRIMETHYLENE CARBONATE AND POLY(TRIMETHYLENE ETHER) GLYCOLS E. I. DUPONT DE NEMOURS AND COMPANY (US) 2009-06-04 US disclosed
US-6593444-B2 Based on poly(1,3-propanediol carbonate) diol; hardness, higher elasticity modulus, and improved softening temperature and coefficient of thermal expansion; clarity; mechanical properties; extrusion SHELL OIL COMPANY 2003-07-15 US disclosed
EP-1268599-A2 THERMOPLASTIC POLYURETHANE ELASTOMERS (TPUs) PREPARED WITH POLYTRIMETHYLENE CARBONATE SOFT SEGMENT SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-01-02 EP disclosed
WO-2001072867-A2 THERMOPLASTIC POLYURETHANE ELASTOMERS (TPUs) PREPARED WITH POLYTRIMETHYLENE CARBONATE SOFT SEGMENT SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-10-04 WO disclosed