SCHEMBL8951981

SCHEMBL8951981

[Li]c1cccc2c1OC(F)(F)O2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.33
GPR3 P46089 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
ADORA2A P29274 2/20 0.31
ATR Q13535 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
SCHEMBL30677836 0.77 FFAR4 (0.37) MPOGPR3FFAR4HTR1ADRD2
SCHEMBL13551133 0.75 MPO (0.33) MPOGPR3FFAR4HTR1ADRD2
SCHEMBL6264335 0.75 AHR (0.45) MPOGPR3FFAR4HTR1ADRD2
SCHEMBL29437972 0.75 FFAR4 (0.34) MPOGPR3FFAR4HTR1ADRD2
SCHEMBL423294 0.75 ADORA2A (0.35) MPOGPR3FFAR4HTR1ADRD2
SCHEMBL3151886 0.75 FFAR4 (0.34) MPOGPR3FFAR4HTR1ADRD2
SCHEMBL978248 0.75 MPO (0.33) MPOGPR3FFAR4HTR1ADRD2
SCHEMBL334653 0.75 MPO (0.39) MPOGPR3FFAR4HTR1ADRD2
SCHEMBL5325701 0.75 MPO (0.33) MPOGPR3FFAR4HTR1ADRD2
SCHEMBL10329924 0.75 MPO (0.33) MPOGPR3FFAR4HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5496848-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1996-03-05 US claimed
EP-0333661-B1 Process for the preparation of a pyrole derivative CIBA GEIGY AG (CH) 1994-04-27 EP claimed
EP-0333661-A2 Process for the preparation of a pyrole derivative CIBA-GEIGY AG (CH) 1989-09-20 EP claimed
US-5514816-A REACTION OF DIFLUOROBENZO-1,3-DIOXOLE WITH METAL COMPOUNDS FOR INSECTICIDES CIBA-GEIGY CORPORATION (US) 1996-05-07 US disclosed
US-5496848-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1996-03-05 US disclosed
US-5493032-A INSECTICIDES, MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1996-02-20 US disclosed
EP-0333658-B1 Process for the preparation of substituted difluorbenzo-1,3-dioxoles CIBA GEIGY AG (CH) 1995-07-26 EP disclosed
US-5420301-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1995-05-30 US disclosed
EP-0333661-B1 Process for the preparation of a pyrole derivative CIBA GEIGY AG (CH) 1994-04-27 EP disclosed
US-5281718-A Reacting in one pot reaction 2,2-difluorobenzodioxole with an organometal compound or metal to form 4-metallo-2,2-difluorobenzodioxole, reacting with unsaturated nitrile, then with isocyanide CIBA-GEIGY CORPORATION (US) 1994-01-25 US disclosed
US-5194628-A Reacting metallo-difluorobenzodioxole with unsaturated nitrile and then with sulfonylmethyl isocyanide CIBA-GEIGY CORPORATION (US) 1993-03-16 US disclosed
EP-0333661-A2 Process for the preparation of a pyrole derivative CIBA-GEIGY AG (CH) 1989-09-20 EP disclosed
EP-0333658-A2 Process for the preparation of substituted difluorbenzo-1,3-dioxoles CIBA-GEIGY AG (CH) 1989-09-20 EP disclosed