SCHEMBL3074284

SCHEMBL3074284

CC1(C)CCCC(C)(CN=C=O)C1.CC1(C)CCCC(C)(CN=C=O)C1.CC1(C)CCCC(C)(CN=C=O)C1.O=c1[nH]c(=O)[nH]c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL7169267 1.00 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL1081188 0.90 ALDH1A1 (0.51) ALDH1A1CYP3A4
SCHEMBL661926 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL1712651 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4
Cyanate SCHEMBL20544032 0.83 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL2869397 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL552975 0.74 ALDH1A1 (0.83) ALDH1A1CYP3A4
SCHEMBL6563775 0.73 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL19924891 0.73
SCHEMBL28566214 0.73 ALDH1A1 (0.75) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048015-A1 Use of a thermally insulating composition for insulating pipes contained in a duct transferring petroleum products ATOFINA (FR) 2004-03-11 US claimed
EP-0743655-B1 Cross-linkable dielectric composition ATOCHEM ELF SA (FR) 1999-02-24 EP claimed
US-8997867-B2 Use of a fluid composition with delayed cross-linking for holding a casing inside a drill hole and method for reinforcing a drill hole CRAY VALLEY SA (FR) 2015-04-07 US disclosed
US-20100218953-A1 USE OF A FLUID COMPOSITION WITH DELAYED CROSS-LINKING FOR HOLDING A CASING INSIDE A DRILL HOLE AND METHOD FOR REINFORCING A DRILL HOLE TOTALENERGIES ONETECH (FR) 2010-09-02 US disclosed
US-20040048015-A1 Use of a thermally insulating composition for insulating pipes contained in a duct transferring petroleum products ATOFINA (FR) 2004-03-11 US disclosed
US-6154357-A CAPACTOR MADE BY IMPREGNATION OF THE COIL WINDING WITH A DIELECTRIC FLUID, ELIMINATING THE EXCESS FLUID, FILLING THE CASING CONTAINING THE IMPREGNATED COIL WINDING WITH A GELABLE POLYOL AND POLYISOCYANATE, AND THE DIELECTRIC FLUID, GELLING ELF ATOCHEM S.A. (FR) 2000-11-28 US disclosed
US-6048618-A METALLIZED POLYMER FILM IMPREGNATED WITH INSULATING FLUID CONTAINING POLYISOCYANATE, ALIPHATIC ESTER OR ALKLMENZENE ELF ATOCHEM S.A. (FR) 2000-04-11 US disclosed
US-6010743-A FORMING POLYURETHANES ELF ATOCHEM S.A. (FR) 2000-01-04 US disclosed