SCHEMBL3928042

SCHEMBL3928042

CCC(N(CCCN(C)C)CCCN(C)C)N(CC(C)O)CC(C)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
DNM1 Q05193 3/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3937627 0.87 TSHR (0.31) TSHRDNM1ALDH1A1
SCHEMBL3929224 0.84 TSHR (0.31) TSHR
SCHEMBL2847426 0.79 MAPT (0.44) TSHRDNM1ALDH1A1
SCHEMBL2843587 0.79 MAPT (0.39) TSHRDNM1ALDH1A1
SCHEMBL3922982 0.76 TSHR (0.41) TSHR
SCHEMBL3931452 0.76 TSHR (0.41) TSHR
SCHEMBL3924159 0.74
SCHEMBL3920831 0.73 MAPT (0.42) TSHRDNM1ALDH1A1
SCHEMBL23698337 0.71 TSHR (0.39) TSHRDNM1ALDH1A1
SCHEMBL17431703 0.71 ALDH1A1 (0.39) TSHRDNM1ALDH1A1

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