SCHEMBL28224049

SCHEMBL28224049

[CH2]C(N)N(CCC)CCC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.37
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL22472345 0.75 FDPS (0.40) FDPSCA1
SCHEMBL1984561 0.75
SCHEMBL419402 0.75 FDPS (0.40) FDPSCA12CA1CA2CA14
SCHEMBL1626524 0.73 FDPS (0.39) FDPSCA12CA1CA2CA14
SCHEMBL1977488 0.73 FDPS (0.39) FDPS
SCHEMBL3698990 0.71
SCHEMBL9674088 0.71 FDPS (0.37) FDPS
Hydrochloric Acid SCHEMBL6452926 0.71 FDPS (0.37) FDPSCA12CA1CA2CA14
SCHEMBL258808 0.71 FDPS (0.37) FDPSCA12CA1CA2CA14
SCHEMBL27552688 0.71 FDPS (0.42) FDPSCA12CA1CA2

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-108070259-A A kind of preparation of polysiloxane emulsion 南京瑞思化学技术有限公司 2018-05-25 CN disclosed