SCHEMBL1683235

SCHEMBL1683235

Clc1cccc(Cl)[nH+]1.F[B-](F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 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
Nitrapyrin SCHEMBL9644896 0.79 ACHE (0.30)
SCHEMBL28431559 0.67 TSHR (0.50)
1,2-Dichlorobenzene SCHEMBL31146806 0.65 TSHR (0.71) CYP1A2CYP2A6
1,2-Dichlorobenzene SCHEMBL21634789 0.65 TSHR (0.71) CYP1A2CYP2A6
SCHEMBL28119509 0.65 TSHR (0.48) CYP1A2
SCHEMBL30116309 0.65 ACHE (0.33) CYP1A2CYP2A6
SCHEMBL63583 0.63
SCHEMBL27372085 0.63 TSHR (0.46) CYP1A2
Chlorobenzene SCHEMBL28346922 0.63 TSHR (0.73) CYP1A2CYP2A6
Chlorobenzene SCHEMBL14334753 0.63 TSHR (0.73) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016087879-A1 FORMATION OF BONDS BY OUTER-SPHERE OXIDATIVE ELECTROPHILIC FLUORINATION UNIVERSITY OF YORK (GB) 2016-06-09 WO claimed
EP-2303897-A1 HIGH-VALENT PALLADIUM FLUORIDE COMPLEXES AND USES THEREOF President and Fellows of Harvard College (US) 2011-04-06 EP disclosed
WO-2009149347-A1 HIGH-VALENT PALLADIUM FLUORIDE COMPLEXES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-10 WO disclosed
EP-1006135-B1 Conjugated N-fluoropyridinium salt-containing polymer and use of the same DAIKIN IND LTD (JP) 2003-02-12 EP disclosed
EP-0787719-B1 CONJUGATED N-FLUOROPYRIDINIUM SALT POLYMER AND USE THEREOF DAIKIN IND LTD (JP) 2001-08-16 EP disclosed
EP-1006135-A1 Conjugated N-fluoropyridinium salt-containing polymer and use of the same DAIKIN INDUSTRIES, LIMITED (JP) 2000-06-07 EP disclosed
US-5736274-A ANODE ACTIVE MATERIAL AND SOLID ELECTROLYTE FOR BATTERIES; HIGH ELECTROMOTIVE FORCE; HIGH ENERGY DENSITY; POLLUTION CONTROL; FLUORINATING AGENTS; LOW INTERNAL RESISTANCE IN CHARGING AND DISCHARGING DAIKIN INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
EP-0787719-A1 CONJUGATED N-FLUOROPYRIDINIUM SALT POLYMER AND USE THEREOF DAIKIN INDUSTRIES, LTD. (JP) 1997-08-06 EP disclosed