SCHEMBL5004355

SCHEMBL5004355

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CYP2C9 P11712 1/20 0.36
PDE4A P27815 1/20 0.36
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
OR51E2 Q9H255 1/20 0.32
PGD P52209 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL5001813 0.97 TSHR (0.43) TSHRCYP2C9PDE4AMEN1USP2
SCHEMBL17307362 0.88 ALDH1A1 (0.43) TSHRCYP2C9PDE4AMEN1USP2
SCHEMBL17292411 0.86 GGT1 (0.43) TSHRCYP2C9PDE4A
SCHEMBL11302636 0.86 TSHR (0.38) TSHRCYP2C9PDE4A
SCHEMBL17307369 0.85 ALDH1A1 (0.38) TSHRCYP2C9PDE4AMEN1USP2
SCHEMBL17292182 0.83 ANPEP (0.40) TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL17292139 0.83 SMN1; SMN2 (0.42) TSHRMAPTSMN1; SMN2
SCHEMBL17307361 0.83 GSR (0.36) TSHRKMT2A
SCHEMBL28120497 0.81 SMN1; SMN2 (0.41) TSHRMAPTSMN1; SMN2
SCHEMBL17292410 0.81 ALDH1A1 (0.37) TSHRALDH1A1PGD

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