SCHEMBL1048655

SCHEMBL1048655

C=C(C)C.C=C(C)C.C=C(C)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3709978 1.00 HSD17B10 (0.37) HSD17B10TDP1
SCHEMBL97535 0.97
SCHEMBL31461580 0.93
SCHEMBL16712428 0.93
Ammonia Solution, Strong SCHEMBL29725124 0.93
Phosphoric Acid SCHEMBL5963671 0.83 BTN3A1 (0.33) HSD17B10TDP1
SCHEMBL28489397 0.81
SCHEMBL822018 0.80 HSD17B10 (0.30) HSD17B10TDP1
SCHEMBL14152860 0.79
Maleic Acid SCHEMBL23357788 0.77 TSHR (0.41) HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015072-A1 Microcapsules with Acylurea Walls BASF SE (DE) 2011-01-20 US disclosed