SCHEMBL8877041

SCHEMBL8877041

O=C(O)CC(CC(=O)OC(=O)CC(CC(=O)O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7832375 0.83 SLC22A6 (0.33) SLC22A6TDP1
SCHEMBL1788265 0.75 SLC22A6 (0.33) SLC22A6TDP1
SCHEMBL8877183 0.68 SLC22A6 (0.43) SLC22A6TDP1
SCHEMBL499437 0.67 TDP1 (0.70) SLC22A6TDP1
SCHEMBL25288454 0.67 SLC22A6 (0.38) SLC22A6TDP1
SCHEMBL16877270 0.67 SLC22A6 (0.43) SLC22A6TDP1
SCHEMBL1704335 0.67 SLC22A6 (0.38) SLC22A6TDP1
SCHEMBL9060857 0.66 SLC22A6 (0.41) SLC22A6TDP1
SCHEMBL27383612 0.65 GAA (0.40) TDP1
SCHEMBL22118498 0.64 HTT (0.31)

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-5631209-A ALGICIDES ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5502027-A ALGICIDES ROHM AND HAAS COMPANY (US) 1996-03-26 US disclosed
EP-0415642-B1 Glutarimides ROHM & HAAS (US) 1995-12-06 EP disclosed
US-5393735-A N-(halo-oxy-)phenyl substituted cyclic imides ROHM AND HAAS COMPANY (US) 1995-02-28 US disclosed
US-5238908-A HERBICIDAL GLUTARAMIC ACIDS AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1993-08-24 US disclosed
EP-0415642-A1 Glutarimides ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed