SCHEMBL3682957

SCHEMBL3682957

CC(C)(C)/C(=C/C(=O)OO)C(=O)OOO

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
SCHEMBL11128172 0.86
SCHEMBL22597 0.85
SCHEMBL8618409 0.85
Ammonia Solution, Strong SCHEMBL3266794 0.83
SCHEMBL22596 0.77
SCHEMBL11125423 0.76 L3MBTL1 (0.35)
SCHEMBL10346670 0.71
SCHEMBL7161015 0.70
SCHEMBL1323711 0.68
SCHEMBL65755 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054458-B1 RADICAL COLD-CURING OF SYNTHETIC RESINS BASED ON MODIFIED POLY(METH)ACRYLATES COMPRISING REACTIVE ETHYLENIC GROUPS ASHLAND SUEDCHEMIE KERNFEST (DE) 2012-05-30 EP claimed
US-20100036056-A1 RADICAL COLD CURING OF SYNTHETIC RESINS BASED ON MODIFIED POLY(METH) ACRYLATES COMPRISING REACTIVE ETHYLENIC GROUPS ASHLAND-SÜDCHEMIE KERNFEST GMBH (DE) 2010-02-11 US claimed