SCHEMBL4598455

SCHEMBL4598455

CCCC(C=O)(CCCCCC=O)CCCCCCC=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 1/20 0.36
EPHX1 P07099 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
ACLY P53396 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
SCHEMBL28626292 0.85 TSHR (0.42) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL7735780 0.85 TSHR (0.42) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL11170814 0.80 TSHR (0.38) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL9869237 0.79 ALDH1A1 (0.35) TSHRALDH1A1ADH1BADH1AADH7
SCHEMBL7732151 0.78 TSHR (0.44) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL3896366 0.77 TSHR (0.42) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL17715107 0.76 TSHR (0.46) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL1787521 0.74 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL20873209 0.73 GGPS1 (0.39) TSHR
Tridecanal SCHEMBL38928 0.71 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448502-B1 METHOD FOR REMOVING ACETALS CONTAINING FORMALDEHYDE FROM POLYVALENT ALCOHOLS BY MEANS OF TEMPERING BASF SE (DE) 2015-10-14 EP disclosed
EP-1525175-B1 METHOD FOR INCREASING YIELD IN THE PRODUCTION OF POLYVALENT ALCOHOLS BY SPLITTING BY-PRODUCTS CONTAINING ACETAL BASF SE (DE) 2008-07-09 EP disclosed
EP-1326819-B1 IMPROVEMENT OF A COLOUR INDEX OF MULTIVALENT ALCOHOLS BY HYDROGENATION BASF AG (DE) 2006-01-11 EP disclosed
EP-1246786-B1 COLOUR NUMBER IMPROVEMENT IN POLYHYDRIC ALCOHOLS BY HYDROGENATION BASF AG (DE) 2005-06-15 EP disclosed
EP-1246786-A2 COLOUR NUMBER IMPROVEMENT IN POLYHYDRIC ALCOHOLS BY HYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
WO-2001047850-A2 COLOUR NUMBER IMPROVEMENT IN POLYHYDRIC ALCOHOLS BY HYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2001-07-05 WO disclosed