SCHEMBL7035397

SCHEMBL7035397

O=C(CCC(=O)OC(=O)C(O)C(O)C(=O)O)OC(=O)C(O)C(O)C(=O)O.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
PGD P52209 1/20 0.32
HTT P42858 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDE4A P27815 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TET2 Q6N021 3/20 0.30
KDM4A O75164 2/20 0.30
KDM4C Q9H3R0 2/20 0.30
KDM2A Q9Y2K7 2/20 0.30
TET3 O43151 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
SCHEMBL94759 0.98 TSHR (0.48) TSHRPGDHTTCYP2C9PDE4A
SCHEMBL27625179 0.95 TSHR (0.46) TSHRPGDHTTCYP2C9PDE4A
SCHEMBL28182002 0.94 TSHR (0.40) TSHRALDH1A1TET2KDM4AKDM4C
Cadaverine Tartrate SCHEMBL28179966 0.92 TSHR (0.39) TSHRALDH1A1TET2KDM4AKDM4C
Cadaverine Tartrate SCHEMBL8321372 0.91 TSHR (0.42) TSHRPGDHTTALDH1A1TET2
SCHEMBL27314245 0.91 TSHR (0.42) TSHRPGDHTTALDH1A1TET2
SCHEMBL1864896 0.89 TSHR (0.43) TSHRPGDHTTCYP2C9ALDH1A1
SCHEMBL108456 0.86 TSHR (0.37) TSHR
SCHEMBL23069532 0.85 ALDH1A1 (0.54) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL27726717 0.85 TSHR (0.40) TSHRALDH1A1

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
EP-0808656-B1 Production process for ether compound using a solid catalyst NIPPON CATALYTIC CHEM IND (JP) 2003-03-12 EP disclosed
US-5801277-A Solid catalyst for etherification reaction and production process for ether compound using this catalyst NIPPON SHOKUBAI CO., LTD. (JP) 1998-09-01 US disclosed
EP-0808656-A1 Solid catalyst for etherification reaction and production process for ether compound using this catalyst NIPPON SHOKUBAI CO., LTD. (JP) 1997-11-26 EP disclosed
US-5001245-A Process for producing metallic salt of ethercarboxylic acid NIPPON SHOKUBAI KAGAKU KOGYO COMPANY, LTD. (JP) 1991-03-19 US disclosed
EP-0328153-A1 A process for producing metal salts of ether carboxylic acids NIPPON SHOKUBAI CO., LTD. (JP) 1989-08-16 EP disclosed