SCHEMBL4998501

SCHEMBL4998501

CC[C@](CC(=O)O)(C(=O)O)N(C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
ACLY P53396 3/20 0.33
CPT2 P23786 2/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5004376 0.79 ALDH1A1 (0.47) TSHRALDH1A1MEN1CYP1A2THRB
SCHEMBL8583397 0.77 TSHR (0.38) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL1173130 0.74 TSHR (0.35) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL29084381 0.74 TSHR (0.35) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL18798914 0.71 ALDH1A1 (0.46) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL28885649 0.70 FFAR3 (0.35) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL5157779 0.70 CYP2D6 (0.39) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL3457541 0.69 ALDH1A1 (0.33) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL9279731 0.69 ALDH1A1 (0.33) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL4998722 0.68 HMGCR (0.50) CYP2D6TSHRCYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1795211-A2 Water-absorbing agent and its production process and use NIPPON SHOKUBAI CO., LTD. (JP) 2007-06-13 EP claimed
US-7420018-B2 Water-absorbing agent production process with surface crosslinking and ion blocking NIPPON SHOKUBAI CO., LTD. (JP) 2008-09-02 US disclosed
EP-1795211-A2 Water-absorbing agent and its production process and use NIPPON SHOKUBAI CO., LTD. (JP) 2007-06-13 EP disclosed
EP-0940148-B1 Water-absorbing agent and its production process and use NIPPON CATALYTIC CHEM IND (JP) 2006-05-24 EP disclosed
EP-1611949-A1 Water-Absorbing Agent and its Production Process and Use Nippon Shokubai Co., Ltd. (JP) 2006-01-04 EP disclosed
US-20050272600-A1 Water-absorbing agent and its production process and use NIPPON SHOKUBAI CO., LTD. 2005-12-08 US disclosed
US-6964998-B2 Water-absorbing agent and its production process and use NIPPON SHOKUBAI CO., LTD. (JP) 2005-11-15 US disclosed
US-20030176589-A1 Water-absorbing agent and its production process and use NIPPON SHOKUBAI CO., LTD. 2003-09-18 US disclosed
US-6599989-B2 Undergoes little deterioration with time when absorbing urine; high absorption amount till the leakage occurs in a used state very near to practical use. NIPPON SKOKUBAI CO., LTD. (JP) 2003-07-29 US disclosed
US-20020120074-A1 WATER-ABSORBING AGENT AND ITS PRODUCTION PROCESS AND USE NIPPON SHOKUBAI CO., LTD. (JP) 2002-08-29 US disclosed
EP-0940148-A1 Water-absorbing agent and its production process and use Nippon Shokubai Co., Ltd. (JP) 1999-09-08 EP disclosed