SCHEMBL28769934

SCHEMBL28769934

CC[CH]C(CC)CCC(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL7518811 0.83
SCHEMBL27707720 0.80 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL27686774 0.78 TSHR (0.41) TSHRSMN1; SMN2
SCHEMBL4620077 0.78
SCHEMBL498637 0.76
SCHEMBL545145 0.74 TSHR (0.58) TSHRSMN1; SMN2
SCHEMBL27560812 0.74 TSHR (0.31) TSHRSMN1; SMN2TRPM8
SCHEMBL9770379 0.74 TSHR (0.58) TSHRSMN1; SMN2TRPM8
SCHEMBL16238893 0.72
SCHEMBL15170448 0.72 TSHR (0.50) TSHRSMN1; SMN2

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
CN-101119999-A 5, 6-dialkyl-7-amino-azolopyrimidines, method for the production thereof, use thereof for controlling harmful fungi, and agents containing said compounds BASF AG (DE) 2008-02-06 CN claimed