SCHEMBL7598086

SCHEMBL7598086

CC(C)(CN)OCCCN

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.39
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 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
SCHEMBL19591039 0.91 ODC1 (0.33) ODC1
SCHEMBL22124601 0.83
SCHEMBL17238501 0.83 CYP2D6 (0.39) CYP2D6
SCHEMBL6334611 0.82 ALDH1A1 (0.38) ODC1
SCHEMBL25919320 0.82 ADRB2 (0.42) CYP2D6
SCHEMBL16767875 0.81 ODC1 (0.33) ODC1
SCHEMBL9637993 0.80 CYP4F2 (0.34)
Ammonia Solution, Strong SCHEMBL27502470 0.80 ADRB2 (0.40)
SCHEMBL10027675 0.80 ODC1 (0.36) ODC1
SCHEMBL18683586 0.80 ODC1 (0.36) ODC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1138708-B1 PROCESS FOR PRODUCING POLYURETHANE FOAM KAO CORP (JP) 2002-12-04 EP claimed
US-6410608-B1 USING AN AMINE CATALYST MIXTURES KAO CORPORATION (JP) 2002-06-25 US claimed
EP-1138708-A1 PROCESS FOR PRODUCING POLYURETHANE FOAM Kao Corporation (JP) 2001-10-04 EP claimed
EP-1138708-B1 PROCESS FOR PRODUCING POLYURETHANE FOAM KAO CORP (JP) 2002-12-04 EP disclosed
US-6410608-B1 USING AN AMINE CATALYST MIXTURES KAO CORPORATION (JP) 2002-06-25 US disclosed
EP-1138708-A1 PROCESS FOR PRODUCING POLYURETHANE FOAM Kao Corporation (JP) 2001-10-04 EP disclosed