SCHEMBL3929533

SCHEMBL3929533

CCC(N1CCCCC1)N(CC(C)O)CC(C)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3924461 0.79 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL2844511 0.77 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL5910802 0.73 HRH3 (0.32)
SCHEMBL7106721 0.73 MEN1 (0.31)
SCHEMBL11202454 0.73 HRH3 (0.33) TSHR
SCHEMBL5910756 0.71 SLC6A3 (0.30)
SCHEMBL3923862 0.69 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL29905540 0.69
SCHEMBL30075593 0.68 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL81243 0.66 MEN1 (0.39) TSHRSMN1; SMN2

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
US-7572837-B2 Process for the production of flexible polyurethane foams TOSOH CORPORATION (JP) 2009-08-11 US disclosed
US-20030144371-A1 Catalyzing the copolymerization in presence of imidazole compounds, free of tin comound, forming polyetherurethane copolymers TOSOH CORPORATION (JP) 2003-07-31 US disclosed
EP-1312630-A1 Process for the production of flexible polyurethane foams Tosoh Corporation (JP) 2003-05-21 EP disclosed