SCHEMBL6287061

SCHEMBL6287061

CCCCNC(=O)OCCCCNCC

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.77
EPHX2 P34913 2/20 0.54
EPHX1 P07099 1/20 0.50

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
SCHEMBL6280300 0.98 ACHE (0.80) ACHEEPHX2EPHX1
SCHEMBL5246718 0.95 ACHE (0.73) ACHEEPHX2
SCHEMBL5247986 0.93 ACHE (0.82) ACHEEPHX2EPHX1
SCHEMBL14451907 0.91 ACHE (0.79) ACHEEPHX1
SCHEMBL5244780 0.91 ACHE (0.86) ACHEEPHX2EPHX1
SCHEMBL5244850 0.89 ACHE (0.75) ACHEEPHX1
SCHEMBL6284979 0.89 ACHE (0.65) ACHEEPHX2
Hydrochloric Acid SCHEMBL9773770 0.88 ACHE (0.72) ACHEEPHX1
SCHEMBL5249562 0.88 ACHE (0.68) ACHEEPHX2EPHX1
SCHEMBL20588996 0.88 ACHE (0.79) ACHEEPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed