SCHEMBL2048936

SCHEMBL2048936

O=C=NCC(F)(F)C(F)(F)C(F)(F)CN=C=O

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
SCHEMBL2049127 0.94
SCHEMBL10882922 0.92
SCHEMBL4808304 0.92
SCHEMBL4810017 0.92
SCHEMBL4808494 0.92
SCHEMBL4806856 0.92
SCHEMBL6361615 0.90
SCHEMBL7872904 0.88
SCHEMBL29441744 0.87
SCHEMBL9420801 0.85 THRB (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956131-B2 Lactam polymer derivatives JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-06-07 US disclosed
US-20100171923-A1 LACTAM POLYMER DERIVATIVES JOHSNON & JOHNSON VISION CARE, INC. 2010-07-08 US disclosed
EP-2029641-A2 LACTAM POLYMER DERIVATIVES ETHICON, INC. (US) 2009-03-04 EP disclosed
US-7473738-B2 Lactam polymer derivatives JOHNSON & JOHNSON VISION CARE, INC. (US) 2009-01-06 US disclosed
WO-2008157468-A1 LACTAM POLYMER DERIVATIVES ETHICON, INC. (US) 2008-12-24 WO disclosed
US-20070299206-A1 LACTAM POLYMER DERIVATIVES ETHICON, INC. 2007-12-27 US disclosed
WO-2007149804-A2 LACTAM POLYMER DERIVATIVES ETHICON, INC. (US) 2007-12-27 WO disclosed
US-20070290174-A1 LACTAM POLYMER DERIVATIVES JOHNSON & JOHNSON VISION CARE, INC. 2007-12-20 US disclosed
US-20060069235-A1 Lactam polymer derivatives JOHNSON & JOHNSON VISION CARE, INC. 2006-03-30 US disclosed