SCHEMBL9569898

SCHEMBL9569898

O=C(CC=CF)OCCBr

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL27450442 0.79 ALDH1A1 (0.39)
SCHEMBL27325411 0.74
SCHEMBL21225959 0.72 ALDH1A1 (0.32)
SCHEMBL777495 0.72 ALDH1A1 (0.32)
SCHEMBL11514649 0.72
SCHEMBL27476384 0.70
SCHEMBL20511453 0.69
SCHEMBL2521741 0.69 MGAM (0.46) CYP2C19L3MBTL1
SCHEMBL27921910 0.67
SCHEMBL27832194 0.67 FAAH (0.43) CYP2C19L3MBTL1

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 3 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
EP-0301881-A1 Halogenated 1,3-dioxolanes and derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-01 EP claimed
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