SCHEMBL9569837

SCHEMBL9569837

COC(=O)C(F)(F)C1(C(F)(F)C(=O)OC)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
DGAT1 O75907 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
SCHEMBL9809171 1.00 ALDH1A1 (0.34) ALDH1A1DGAT1
SCHEMBL9569861 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12885893 0.70 ALDH1A1 (0.32) ALDH1A1DGAT1
SCHEMBL9569872 0.69 ALDH1A1 (0.34) ALDH1A1
SCHEMBL15918185 0.68 NPC1 (0.33) ALDH1A1
SCHEMBL31345126 0.67
SCHEMBL12868775 0.65 KCNN4 (0.31) ALDH1A1
SCHEMBL226310 0.64 ALDH1A1 (0.42) ALDH1A1DGAT1
SCHEMBL15106088 0.64 NPSR1 (0.33)
Tetrahydrofuran SCHEMBL27774084 0.64 ALDH1A1 (0.35) ALDH1A1DGAT1

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-5227500-A Halogenated 1,3-dioxolanes and derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-13 US disclosed
EP-0529741-A1 Procedure for the preparation of halogenated 1,3-dioxolanes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-03 EP disclosed
US-5057586-A Fluoropolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-15 US disclosed
US-4973714-A ADDITION POLYMERS, FLUOROPOLYMERS, HEAT RESISTANCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-11-27 US disclosed
US-4810806-A FROM A HALOETHYL CARBOXYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0301881-A1 Halogenated 1,3-dioxolanes and derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-01 EP disclosed