SCHEMBL9569864

SCHEMBL9569864

O=C(OCCBr)C(=O)OCCBr

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 3/20 0.32
THRB P10828 1/20 0.31

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
Boric Acid SCHEMBL29245253 0.91 CYP2C19 (0.30) CYP2C19
SCHEMBL28185657 0.85
SCHEMBL4673500 0.83
SCHEMBL790193 0.83
SCHEMBL28580704 0.81
SCHEMBL28711454 0.81 CA4 (0.33)
SCHEMBL28713241 0.81
SCHEMBL291552 0.80 ALDH1A1 (0.40) TRPA1CYP2C19ALDH1A1L3MBTL1TSHR
SCHEMBL270904 0.79
SCHEMBL21266399 0.79

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-0529741-A1 Procedure for the preparation of halogenated 1,3-dioxolanes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-03 EP claimed
US-4810806-A FROM A HALOETHYL CARBOXYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US claimed
EP-0301881-A1 Halogenated 1,3-dioxolanes and derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-01 EP claimed
CN-108475822-A Non-aqueous electrolyte for secondary battery and the secondary cell for having it 斯泰拉化工公司 2018-08-31 CN disclosed
CN-107431245-A Non-aqueous electrolyte for secondary battery and the secondary cell for possessing it 斯泰拉化工公司 2017-12-01 CN disclosed
CN-107408732-A Non-aqueous electrolyte for secondary battery and the secondary cell for possessing it 斯泰拉化工公司 2017-11-28 CN disclosed
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