SCHEMBL6944067

SCHEMBL6944067

CCCCNCCN(CCO)CCCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PAOX Q6QHF9 1/20 0.40
SLC29A1 Q99808 1/20 0.36
KDM5A P29375 3/20 0.35
PHF8 Q9UPP1 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
S1PR2 O95136 5/20 0.32
S1PR4 O95977 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR5 Q9H228 1/20 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
SCHEMBL8009387 0.89 TSHR (0.50) TSHRALDH1A1PAOXKDM5APHF8
SCHEMBL8345906 0.89 TSHR (0.50) TSHRALDH1A1PAOXKDM5APHF8
SCHEMBL27104960 0.88 TSHR (0.44) TSHRALDH1A1PAOXSLC29A1KDM5A
Diethanolamine SCHEMBL10792842 0.88 ALDH1A1 (0.39) TSHRALDH1A1PAOXSLC29A1KDM5A
SCHEMBL11725018 0.88 ALDH1A1 (0.39) TSHRALDH1A1PAOXKDM5APHF8
SCHEMBL6142226 0.87 TSHR (0.48) TSHRALDH1A1PAOXKDM5APHF8
SCHEMBL17356135 0.87 TSHR (0.52) TSHRALDH1A1PAOXKDM5APHF8
SCHEMBL11749668 0.87 TSHR (0.52) TSHRALDH1A1PAOXKDM5APHF8
SCHEMBL10988487 0.86 ALDH1A1 (0.54) TSHRALDH1A1PAOXSLC29A1S1PR2
SCHEMBL11465915 0.85 TSHR (0.46) TSHRALDH1A1PAOXKDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117471-B1 COMPOSITION AND PROCESS FOR REMOVAL OF ACID GASES INEOS LLC (US) 2003-02-05 EP disclosed
EP-1117472-B1 COMPOSITION AND PROCESS FOR REMOVAL OF ACID GASES INEOS LLC (US) 2003-02-05 EP disclosed
EP-1117472-A1 COMPOSITION AND PROCESS FOR REMOVAL OF ACID GASES THE DOW CHEMICAL COMPANY (US) 2001-07-25 EP disclosed
EP-1117471-A1 COMPOSITION AND PROCESS FOR REMOVAL OF ACID GASES THE DOW CHEMICAL COMPANY (US) 2001-07-25 EP disclosed
US-6207121-B1 PURIFICATION OF FLUID STREAMS BY ABSORPTION OF ACID GAS BY AN AQUEOUS MIXTURE OF A TERTIARY-ALKANOLAMINE AND 2-HYDROXY-BUTYLAMINE OR AN N-SUBSTITUTED 2-HYDROXYBUTYLAMINE; STABILITY; REGENERATION THE DOW CHEMICAL COMPANY 2001-03-27 US disclosed
US-6165432-A Composition and process for removal of acid gases THE DOW CHEMICAL COMPANY (US) 2000-12-26 US disclosed
WO-2000018493-A1 COMPOSITION AND PROCESS FOR REMOVAL OF ACID GASES THE DOW CHEMICAL COMPANY (US) 2000-04-06 WO disclosed
WO-2000018492-A1 COMPOSITION AND PROCESS FOR REMOVAL OF ACID GASES THE DOW CHEMICAL COMPANY (US) 2000-04-06 WO disclosed