SCHEMBL362970

SCHEMBL362970

O=C(OCCN(CCO)CCO)c1ccco1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 2/20 0.47
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5344056 0.94 ALDH1A1 (0.67) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL4661575 0.84 ALDH1A1 (0.57) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL11039202 0.82 ALDH1A1 (0.62) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL27859649 0.81 ALDH1A1 (0.72) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL15999899 0.81 ALDH1A1 (0.55) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL13381402 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHTTTSHRHSD17B10
SCHEMBL27859868 0.79 ALDH1A1 (0.56) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL15256939 0.79 ALDH1A1 (0.59) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL31337846 0.79 ALDH1A1 (0.59) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL30107665 0.78 ALDH1A1 (0.52) ALDH1A1LMNAHTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290698-B2 Biobased polyols for potential use as flame retardants in polyurethane and polyester applications BATTELLE MEMORIAL INSTITUTE (US) 2016-03-22 US disclosed
EP-2593444-B1 BIOBASED POLYOLS FOR POTENTIAL USE AS FLAME RETARDANTS IN POLYURETHANE AND POLYESTER APPLICATIONS BATTELLE MEMORIAL INSTITUTE (US) 2015-04-08 EP disclosed
US-20130150475-A1 BIOBASED POLYOLS FOR POTENTIAL USE AS FLAME RETARDANTS IN POLYURETHANE AND POLYESTER APPLICATIONS BATTELLE MEMORIAL INSTITUTE (US) 2013-06-13 US disclosed
EP-2593444-A1 BIOBASED POLYOLS FOR POTENTIAL USE AS FLAME RETARDANTS IN POLYURETHANE AND POLYESTER APPLICATIONS Battelle Memorial Institute (US) 2013-05-22 EP disclosed
WO-2012009609-A1 BIOBASED POLYOLS FOR POTENTIAL USE AS FLAME RETARDANTS IN POLYURETHANE AND POLYESTER APPLICATIONS BATTELLE MEMORIAL INSTITUTE (US) 2012-01-19 WO disclosed