SCHEMBL1719963

SCHEMBL1719963

NCCNC(=O)C(O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
PAOX Q6QHF9 2/20 0.33
TERT O14746 2/20 0.32
CA5B Q9Y2D0 4/20 0.32
CA3 P07451 3/20 0.32

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
SCHEMBL9501632 0.80 ALDH1A1 (0.36) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL11957576 0.77 ALDH1A1 (0.37) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL422608 0.77 POLB (0.44) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL67885 0.77 ALDH1A1 (0.65) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
Hydrochloric Acid SCHEMBL5407882 0.75 ALDH1A1 (0.62) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL6692722 0.75 ALDH1A1 (0.36) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL23465665 0.73 ALDH1A1 (0.43) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL14684132 0.73 ALDH1A1 (0.34) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL12334945 0.73 EPHX1 (0.35) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL23922069 0.73 PAOX (0.39) ALDH1A1ALOX15CYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834207-B1 ADJUVANT FOR HYDRAULIC COMPOSITIONS CHRYSO SAS (FR) 2019-05-01 EP claimed
US-20150075409-A1 ADJUVANT FOR HYDRAULIC COMPOSITIONS CHRYSO (FR) 2015-03-19 US claimed
EP-2834207-A1 ADJUVANT FOR HYDRAULIC COMPOSITIONS Chryso S.A.S. (FR) 2015-02-11 EP claimed
WO-2013150145-A1 ADJUVANT FOR HYDRAULIC COMPOSITIONS CHRYSO (FR) 2013-10-10 WO claimed
EP-2834207-B1 ADJUVANT FOR HYDRAULIC COMPOSITIONS CHRYSO SAS (FR) 2019-05-01 EP disclosed
US-20150075409-A1 ADJUVANT FOR HYDRAULIC COMPOSITIONS CHRYSO (FR) 2015-03-19 US disclosed
US-8957176-B2 Blocked polyisocyanates curing free from elimination products for dualcure systems ALLNEX IP S.À.R.L. (LU) 2015-02-17 US disclosed
EP-2834207-A1 ADJUVANT FOR HYDRAULIC COMPOSITIONS Chryso S.A.S. (FR) 2015-02-11 EP disclosed
EP-1634905-B1 Emission free blocked polyisocyanates for Dual Cure systems ALLNEX IP SARL (LU) 2014-03-12 EP disclosed
WO-2013150145-A1 ADJUVANT FOR HYDRAULIC COMPOSITIONS CHRYSO (FR) 2013-10-10 WO disclosed
EP-1578835-B1 NOVEL DUAL CURE SYSTEMS BAYER MATERIALSCIENCE AG (DE) 2012-08-01 EP disclosed
EP-1578831-B1 SEPARATOR-FREE POWDER PAINT CROSSLINKING AGENTS BAYER MATERIALSCIENCE AG (DE) 2012-01-18 EP disclosed
EP-1634905-A1 Emission free blocked polyisocyanates for Dual Cure systems Bayer MaterialScience AG (DE) 2006-03-15 EP disclosed
US-20060052573-A1 Blocked polyisocyanates curing free from elimination products for dualcure systems ALLNEX NETHERLANDS B.V. (NL) 2006-03-09 US disclosed
EP-1578831-A1 SEPARATOR-FREE POWDER PAINT CROSSLINKING AGENTS Bayer MaterialScience AG (DE) 2005-09-28 EP disclosed
EP-1578835-A1 NOVEL DUAL CURE SYSTEMS Bayer MaterialScience AG (DE) 2005-09-28 EP disclosed
WO-2004058845-A1 SEPARATOR-FREE POWDER PAINT CROSSLINKING AGENTS BAYER MATERIALSCIENCE AG (DE) 2004-07-15 WO disclosed
WO-2004058848-A1 NOVEL DUAL CURE SYSTEMS BAYER MATERIALSCIENCE AG (DE) 2004-07-15 WO disclosed