SCHEMBL9498558

SCHEMBL9498558

C=CCC(C)(O)C=CC(C)(O)CC=C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9498542 1.00 MAPT (0.38) MAPTALOX15TSHRMEN1CYP3A4
SCHEMBL11037148 0.85
SCHEMBL8935553 0.82
SCHEMBL11497383 0.80
SCHEMBL8244794 0.78
SCHEMBL1537973 0.78
SCHEMBL125434 0.78
Ammonia Solution, Strong SCHEMBL9599811 0.75 MAPT (0.38) MAPTALOX15TSHRALDH1A1
SCHEMBL16950034 0.75
SCHEMBL9390107 0.75 MAPT (0.38) MAPTALOX15TSHRMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402744-B1 METHOD FOR THE RECOVERY OF TRANS-1,1,4,4-TETRAALKYL-2-BUTENE-1,4-DIOLS BASF Aktiengesellschaft (DE) 1993-03-31 EP claimed
US-5053561-A Separating by solvent extraction BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US claimed
US-5053561-A Separating by solvent extraction BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed