SCHEMBL4998722

SCHEMBL4998722

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
ADRA1A P35348 1/20 0.50
TSHR P16473 3/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 3/20 0.39
CPT2 P23786 2/20 0.38
KDM4E B2RXH2 2/20 0.38
FFAR1 O14842 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACLY P53396 3/20 0.35
TET2 Q6N021 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 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
SCHEMBL8059470 0.78 TSHR (0.35) TSHRCYP2C19HIF1ACYP2D6ALDH1A1
SCHEMBL692324 0.77 NAALAD2 (0.44) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL3284325 0.76 TSHR (0.33) TSHRCYP2C19HIF1ACYP2D6ALDH1A1
SCHEMBL8580780 0.76 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL2027663 0.76 NAALAD2 (0.42) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL1126526 0.74 ADRA1A (0.48) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL5813853 0.73 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL9012809 0.71 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL5716372 0.70 GGT1 (0.34) ALDH1A1
SCHEMBL4998501 0.68 CYP2D6 (0.39) HMGCRCHRM1TBXA2RADRA1ATSHR

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 12 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
JP-2000234286-A CLEANING OF SCALE IN PULP DIGESTER AND ITS PERIPHERAL EQUIPMENT HAKUTO CO LTD 2000-08-29 JP disclosed
EP-0940148-A1 Water-absorbing agent and its production process and use Nippon Shokubai Co., Ltd. (JP) 1999-09-08 EP disclosed