SCHEMBL11599982

SCHEMBL11599982

CCOC(OCC)C(=O)C#CCC(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32

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
SCHEMBL2123353 0.76 ALDH1A1 (0.31)
SCHEMBL3144067 0.73 ALDH1A1 (0.37) LMNA
SCHEMBL3101358 0.69
SCHEMBL3101364 0.69
SCHEMBL15841044 0.68 CA12 (0.31)
SCHEMBL6724903 0.67
SCHEMBL14479668 0.67 THRB (0.35) LMNA
SCHEMBL6589110 0.64
SCHEMBL20019786 0.64 NPSR1 (0.35)
SCHEMBL11601036 0.64

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
US-4107217-A INTERMEDIATED 3-ALKENALS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-08-15 US disclosed
US-4088696-A MULTISTAGE FROM AN ACETYLENIC KETONE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-05-09 US disclosed
US-4045497-A Processes for producing alkenals and intermediates therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-30 US disclosed
US-4024190-A ORGANO-LEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-17 US disclosed
US-3988487-A Foodstuff flavoring compositions comprising alkylidene alkenals and processes for preparing same as well as flavoring compositions for use in such foodstuff INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-26 US disclosed
US-3970701-A 2-ETHYLIDENE-3-HEXENAL, ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-07-20 US disclosed