SCHEMBL9706629

SCHEMBL9706629

CC=C(CN)C(N)=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
SCHEMBL11372614 0.77
SCHEMBL4742487 0.77
SCHEMBL11050759 0.77
SCHEMBL21237871 0.77
SCHEMBL7597464 0.77
SCHEMBL7597468 0.77
SCHEMBL20380044 0.74
SCHEMBL20379708 0.74
SCHEMBL6054554 0.74 GRIK1 (0.33)
SCHEMBL30685719 0.74 CYP1A2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016025747-A1 NONLINEAR COPOLYMERS AS INTRACELLULAR DELIVERY VEHICLES AND RELATED METHODS STAYTON PATRICK S (US) 2016-02-18 WO disclosed
EP-0200213-B1 HYDROGELS WITH INCREASED ORGANIC SOLVENT SOLUBLE ACTIVE AGENT LOADING CAPACITY, THEIR PREPARATION AND THE USE THEREOF CIBA-GEIGY AG (CH) 1992-07-22 EP disclosed
US-4873086-A UNSATURATED COMPOUND/TERMINALLY UNSATURATED HYDROPHOBIC POLYOXYPROPYLENE OR-BUTYLENE GLYCOL COPOLYMERIZED IN THE PRESENCE OF A SOLUBLE POLYETHER EXPANDING AGENT CIBA-GEIGY CORPORATION (US) 1989-10-10 US disclosed
EP-0200213-A2 Hydrogels with increased organic solvent soluble active agent loading capacity, their preparation and the use thereof CIBA-GEIGY AG (CH) 1986-11-05 EP disclosed