Urethane

Urethane

SCHEMBL3737671

CCCCCCCNC(=O)OC[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]1O.CCOC(N)=O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.44
EPHX1 P07099 1/20 0.41
PRKACA P17612 2/20 0.40
G6PD P11413 1/20 0.37
ACHE P22303 6/20 0.36

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
SCHEMBL18976840 0.92 TLR4 (0.50) TLR4EPHX1PRKACAACHE
SCHEMBL15870614 0.92 TLR4 (0.50) TLR4EPHX1PRKACAACHE
SCHEMBL60345 0.92 TLR4 (0.50) TLR4EPHX1PRKACAACHE
SCHEMBL60344 0.92 TLR4 (0.50) TLR4EPHX1PRKACAACHE
SCHEMBL3635578 0.92 TLR4 (0.50) TLR4EPHX1PRKACAACHE
SCHEMBL2279209 0.81 TLR4 (0.48) TLR4EPHX1G6PD
SCHEMBL1857528 0.79 EPHX1 (0.47) TLR4EPHX1ACHE
SCHEMBL60343 0.78 EPHX1 (0.47) TLR4EPHX1ACHE
SCHEMBL3635575 0.78 EPHX1 (0.47) TLR4EPHX1ACHE
SCHEMBL236414 0.78 EPHX1 (0.47) TLR4EPHX1ACHE

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-7829599-B2 Tensio-active glucoside urethanes TIENSE SUIKERRAFFINADERIJ N.V. (BE) 2010-11-09 US disclosed
US-7485689-B2 Tensio-active glucoside urethanes TIENSE SUIKERRAFFINADERIJ N.V. (BE) 2009-02-03 US disclosed
US-20070191565-A1 TENSIO-ACTIVE GLUCOSIDE URETHANES STEVENS CHRISTIAN V 2007-08-16 US disclosed
EP-1237932-B1 TENSIO-ACTIVE GLUCOSIDE URETHANES TIENSE SUIKERRAFFINADERIJ NV (BE) 2006-04-05 EP disclosed
US-20030125482-A1 Tensio-active glucoside urethanes TIENSE SUIKERRAFFINADERIJ N.V. (BE) 2003-07-03 US disclosed
EP-1108726-A1 Tensio-active glucoside urethanes Tiense Suikerraffinaderij N.V. (BE) 2001-06-20 EP disclosed