SCHEMBL5804582

SCHEMBL5804582

[O-]B([O-])Oc1cc(F)c(F)c(F)c1F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL29126210 0.82 CA1 (0.30)
SCHEMBL5421198 0.80
SCHEMBL7624500 0.75
SCHEMBL818029 0.74 KCNQ3 (0.30)
SCHEMBL7082376 0.72
SCHEMBL215323 0.71
SCHEMBL3125569 0.71
SCHEMBL5384820 0.71 CYP3A4 (0.39)
SCHEMBL29351439 0.69
SCHEMBL391637 0.69

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-2006113983-A1 DUAL REACTOR POLYETHYLENE RESINS FOR ELECTRONIC PACKAGING - FILMS, TAPES, BAGS AND POUCHES NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2006-11-02 WO disclosed
US-20060247373-A1 Dual reactor polyethylene resins for electronic packaging-films, tapes, bags and pouches NOVA CHEMICALS (INTERNATIONAL) S.A. 2006-11-02 US disclosed
US-20060235147-A1 Dual reactor polyethylene resins for food packaging - films, bags and pouches NOVA CHEMICALS (INTERNATIONAL) S.A. 2006-10-19 US disclosed
WO-2006108265-A1 DUAL REACTOR POLYETHYLENE RESINS FOR FOOD PACKAGING - FILMS, BAGS AND POUCHES NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2006-10-19 WO disclosed
US-20060235146-A1 Dual reactor polyethylene resins for medical packaging - films, bags and pouches NOVA CHEMICALS (INTERNATIONAL) S.A. 2006-10-19 US disclosed
WO-2006108266-A1 DUAL REACTOR POLYETHYLENE RESINS FOR MEDICAL PACKAGING - FILMS, BAGS AND POUCHES NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2006-10-19 WO disclosed
WO-2006094374-A1 DUAL REACTOR POLYETHYLENE RESINS WITH BALANCED PHYSICAL PROPERTIES NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2006-09-14 WO disclosed
US-20060205898-A1 Dual reactor polyethylene resins with balanced physical properties NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2006-09-14 US disclosed