SCHEMBL4652990

SCHEMBL4652990

CCCC(C)C[C](C)C(C)CCC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ACE2 Q9BYF1 1/20 0.33
CA1 P00915 2/20 0.32
FDPS P14324 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL11223396 0.91 ACE2 (0.39) TSHRACE2CA1FDPS
SCHEMBL4620404 0.76
SCHEMBL100661 0.76
SCHEMBL770089 0.74 TSHR (0.38) TSHRACE2CA1FDPSHSD17B10
SCHEMBL14167783 0.73 TSHR (0.39) TSHRFDPS
SCHEMBL7992915 0.73 TSHR (0.30) TSHR
SCHEMBL3064100 0.72
SCHEMBL6416288 0.72
SCHEMBL7542562 0.72
SCHEMBL594273 0.72

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-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed