SCHEMBL3973872

SCHEMBL3973872

CC(OC(C)(C)CN)OC(C)(C)CN

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35

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
SCHEMBL17700630 0.82
SCHEMBL1009300 0.78
SCHEMBL21578118 0.74 MAPK1 (0.31)
SCHEMBL8849591 0.74 MAPK1 (0.31)
SCHEMBL23836768 0.74 MAPK1 (0.31)
SCHEMBL22403680 0.72 CYP1A2 (0.31)
SCHEMBL7626984 0.72 CYP2D6 (0.32) CYP2D6
SCHEMBL7617808 0.69
SCHEMBL22363868 0.68 ALDH1A1 (0.31)
SCHEMBL10867386 0.68

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567575-A4 IMPROVED MOLDED FOAMS HUNTSMAN SPEC CHEM CORP (US) 2009-08-05 EP disclosed
EP-1551909-A4 CATALYST COMBINATIONS FOR INCREASING TRIMER CONTENT IN FOAM HUNTSMAN SPEC CHEM CORP (US) 2007-12-26 EP disclosed
US-20060058405-A1 Molded foams HUNTSMAN PETROCHEMICAL CORPORATION (US) 2006-03-16 US disclosed
US-20050245629-A1 Catalyst combinations for increasing trimer content in foam DEUTSCHE BANK AG NEW YORK BRANCH, AS COLLATERAL AGENT 2005-11-03 US disclosed
EP-1567575-A1 IMPROVED MOLDED FOAMS Huntsman Petrochemical Corporation (US) 2005-08-31 EP disclosed
EP-1551909-A1 CATALYST COMBINATIONS FOR INCREASING TRIMER CONTENT IN FOAM HUNTSMAN PETROCHEMICAL CORPORATION (US) 2005-07-13 EP disclosed
EP-1401905-A4 ADVANCES IN URETHANE FOAM CATALYSIS HUNTSMAN SPEC CHEM CORP (US) 2005-01-19 EP disclosed
WO-2004050737-A1 IMPROVED MOLDED FOAMS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2004-06-17 WO disclosed
EP-1401905-A1 ADVANCES IN URETHANE FOAM CATALYSIS Huntsman Petrochemical Corporation (US) 2004-03-31 EP disclosed
WO-2004009687-A1 CATALYST COMBINATIONS FOR INCREASING TRIMER CONTENT IN FOAM HUNTSMAN PETROCHEMICAL CORPORATION (US) 2004-01-29 WO disclosed
WO-2002098940-A1 ADVANCES IN URETHANE FOAM CATALYSIS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2002-12-12 WO disclosed
US-6458860-B1 CATALYST SYSTEMS USEFUL FOR PROVIDING POLYURETHANE FOAM PRODUCTS WHICH EXHIBIT LOW FOGGING CHARACTERISTICS WHILE POSSESSING FAVORABLE OVERALL PHYSICAL PROPERTIES WHEN USED AS INTERIOR COMPONENTS OF AUTOMOBILES AND OTHER MOTORIZED HUNTSMAN PETROCHEMICAL CORPORATION 2002-10-01 US disclosed