SCHEMBL16465644

SCHEMBL16465644

C=C(C)CCCC(C)=C(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11399369 0.84
SCHEMBL16033274 0.78
SCHEMBL7116355 0.77 HSD17B10 (0.44) HSD17B10TDP1
SCHEMBL11137343 0.75
SCHEMBL7941996 0.74 TSHR (0.46)
SCHEMBL19189866 0.74 TSHR (0.35)
SCHEMBL4797472 0.74 TDP1 (0.41) HSD17B10TDP1
SCHEMBL8466765 0.74 TDP1 (0.41) HSD17B10TDP1
SCHEMBL1015891 0.73
SCHEMBL17865578 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2904077-A1 FLAVOR AND FRAGRANCE FORMULATION (IV) DSM IP Assets B.V. (NL) 2015-08-12 EP disclosed
WO-2014056849-A1 FLAVOR AND FRAGRANCE FORMULATION (IV) DSM IP ASSETS B.V. (NL) 2014-04-17 WO disclosed