SCHEMBL7899417

SCHEMBL7899417

CC(C)(CN)OCOC(C)(C)CN

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39

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
SCHEMBL17238501 0.80 CYP2D6 (0.39) CYP2D6
SCHEMBL9195566 0.78
SCHEMBL7286232 0.75
SCHEMBL2109580 0.75
SCHEMBL7286229 0.75
SCHEMBL22124601 0.75
SCHEMBL13540755 0.73 CYP2D6 (0.47) CYP2D6
SCHEMBL19443749 0.73 CYP2D6 (0.33) CYP2D6
SCHEMBL35812 0.72 CYP2D6 (0.44) CYP2D6
SCHEMBL115712 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187892-B1 CONTACT ADHESIVE IS A POLYURETHANE/UREA COMPOSITION CONSISTING ESSENTIALLY OF A POLYISOCYANATE OR POLYISOCYANATE ADDUCT HAVING A FUNCTIONALITY OF LESS THAN ABOUT 4, A POLYOL BLEND, A POLYETHER HAVING AMINE GROUPS BAYER CORPORATION 2001-02-13 US disclosed
US-6040028-A CROSSLINKED POLYETHERURETHANE COPOLYMERS BAYER CORPORATION (US) 2000-03-21 US disclosed
US-5558917-A Polyurethane carpet backing process based on polymeric MDI quasi-prepolymers BAYER CORPORATION (US) 1996-09-24 US disclosed
EP-0144841-A2 Method for curing polyurethane compounds Takeda Chemical Industries, Ltd. (JP) 1985-06-19 EP disclosed