Fluoride

Fluoride

SCHEMBL634220

CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC.F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 4/20 0.56
TSHR P16473 4/20 0.56
TDP1 Q9NUW8 2/20 0.52
CA2 P00918 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL166842 0.97 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1CA2
Hydrochloric Acid SCHEMBL11345531 0.95 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL15421392 0.95 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
Hydrochloric Acid SCHEMBL10880852 0.95 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
Bromide SCHEMBL10889015 0.95 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL20246674 0.93 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1CA2
Hydrazine SCHEMBL28217980 0.93 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
Bromide SCHEMBL10889011 0.93 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL9407479 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL8862304 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1CA2

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
EP-2302000-B1 CURABLE COMPOSITION AND CATALYST COMPOSITION KANEKA CORP (JP) 2016-11-16 EP disclosed
US-9051501-B2 Curable composition and catalyst composition KANEKA CORPORATION (JP) 2015-06-09 US disclosed
EP-2088173-B1 CURABLE COMPOSITION AND CATALYST COMPOSITION KANEKA CORP (JP) 2012-02-22 EP disclosed
EP-2302000-A1 Curable composition and catalyst composition KANEKA CORPORATION (JP) 2011-03-30 EP disclosed
US-20100041810-A1 CURABLE COMPOSITION AND CATALYST COMPOSITION KANEKA CORPORATION (JP) 2010-02-18 US disclosed
EP-2088173-A1 CURABLE COMPOSITION AND CATALYST COMPOSITION Kaneka Corporation (JP) 2009-08-12 EP disclosed