SCHEMBL5801024

SCHEMBL5801024

CCCCC(C)(C#N)C#N

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.30
FDPS P14324 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
SCHEMBL5586414 0.92 TSHR (0.38) TSHRTHRBFDPS
SCHEMBL28800398 0.90 TSHR (0.40) TSHRTHRBFDPS
SCHEMBL16543608 0.90 TSHR (0.40) TSHRTHRBFDPS
SCHEMBL1636015 0.82
SCHEMBL6920148 0.78
SCHEMBL10585425 0.76
SCHEMBL11087075 0.74 TSHR (0.41) TSHRLMNATHRBFDPS
SCHEMBL11857578 0.74 TSHR (0.41) TSHRLMNATHRBFDPS
SCHEMBL7616020 0.74 TSHR (0.41) TSHRLMNATHRBFDPS
SCHEMBL5697306 0.74

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
WO-2006062178-A2 STABILIZER FOR HYDROXYLAMINE, METHOD FOR STABILIZING HYDROXYLAMINE, AND STABILIZED HYDROXYLAMINE SOLUTION SHOWA DENKO K.K. (JP) 2006-06-15 WO disclosed