SCHEMBL5403190

SCHEMBL5403190

CCC=CN(CC)CCCC

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA9 Q16790 2/20 0.30
CA2 P00918 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
SCHEMBL5403187 1.00 CA12 (0.30) CA12CA1CA9CA2
SCHEMBL3815340 0.90 DNM1 (0.31) CA12CA1CA9
SCHEMBL3815344 0.90 DNM1 (0.31) CA12CA1CA9
Hydrochloric Acid SCHEMBL22771743 0.88 DNM1 (0.33)
Hydrochloric Acid SCHEMBL22771741 0.88 DNM1 (0.33)
SCHEMBL20194379 0.84 DNM1 (0.42) CA12CA1CA9CA2
SCHEMBL21148311 0.83 DNM1 (0.40) CA12CA1CA9CA2
Hydrochloric Acid SCHEMBL22771750 0.81 DNM1 (0.42) CA12CA1CA9CA2
Hydrochloric Acid SCHEMBL22771748 0.81 DNM1 (0.42) CA12CA1CA9CA2
SCHEMBL21741896 0.81 DNM1 (0.44) CA12CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7161039-B2 Method and device for producing ethylamine and butylamine BASF AKTIENGESELLSCHAFT (DE) 2007-01-09 US disclosed
US-20050124832-A1 Method and device for producing ethylamine and butylamine BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 US disclosed
EP-1448510-A1 METHOD AND DEVICE FOR PRODUCING ETHYLAMINE AND BUTYLAMINE BASF AKTIENGESELLSCHAFT (DE) 2004-08-25 EP disclosed
WO-2003042157-A1 METHOD AND DEVICE FOR PRODUCING ETHYLAMINE AND BUTYLAMINE BASF AKTIENGESELLSCHAFT (DE) 2003-05-22 WO disclosed