SCHEMBL3683085

SCHEMBL3683085

CC(CCO)C(N)(C(C)CCO)C(N)(C(C)CCO)C(C)CCO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
THRB P10828 1/20 0.30
TSHR P16473 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
SCHEMBL6436338 0.80
Water SCHEMBL1335270 0.78 DPP4 (0.31) DPP4
SCHEMBL14839962 0.76
SCHEMBL28465066 0.76
SCHEMBL1476145 0.76
SCHEMBL3684103 0.75 TSHR (0.41) TSHR
SCHEMBL3693860 0.74 TP53 (0.35)
Water SCHEMBL25298648 0.74
Water SCHEMBL20450635 0.74
SCHEMBL6843864 0.74

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-8829145-B2 Water-stable catalysts for polyurethane manufacture DORF KETAL CHEMICALS (INDIA) PVT. LTD. (IN) 2014-09-09 US disclosed
US-20100249359-A1 WATER-STABLE CATALYSTS FOR POLYURETHANE MANUFACTURE JOHNSON MATTHEY PLC (GB) 2010-09-30 US disclosed