SCHEMBL9637993

SCHEMBL9637993

CC(C)(CN)OCCCO

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL115712 0.85
Hydrochloric Acid SCHEMBL25376564 0.83 ALDH1A1 (0.31)
SCHEMBL7598086 0.80 ODC1 (0.39)
SCHEMBL27074425 0.80 ALDH1A1 (0.38)
SCHEMBL17238501 0.79 CYP2D6 (0.39)
SCHEMBL5961128 0.78 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL25919320 0.78 ADRB2 (0.42)
SCHEMBL19094356 0.77 MEN1 (0.48)
SCHEMBL13283912 0.76 CYP4F2 (0.38) CYP4F2CYP4A11
Ammonia Solution, Strong SCHEMBL27502470 0.76 ADRB2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182203-B1 DELAYED ACTION/ENHANCED CURING CATALYSIS IN POLYURETHANE SYSTEMS AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-08-12 EP disclosed
EP-0182203-A2 Delayed action/enhanced curing catalysis in polyurethane systems AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-05-28 EP disclosed
US-4582861-A TERTIARY AMINE, QUATERNARY AMMONIUM MIXTURE CATALYST AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-15 US disclosed