SCHEMBL4037500

SCHEMBL4037500

CCN1CC=CC=C1[N+]C

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
SCHEMBL18293415 0.72
SCHEMBL9644710 0.71
SCHEMBL10719597 0.71
SCHEMBL4423508 0.71
SCHEMBL7003719 0.68
SCHEMBL523007 0.67
SCHEMBL3116940 0.67
SCHEMBL1723728 0.65
SCHEMBL8855767 0.64 PARP10 (0.30)
SCHEMBL7042615 0.62 KDM4E (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646661-B1 LIVING RADICAL POLYMERIZATION INITIATOR COMPRISING A FUNCTIONAL GROUP CAPABLE OF REACTING WITH POLYPEPTIDES OR THE LIKE, COMB POLYMER OBTAINED THEREWITH, POLYPEPTIDE CONJUGATES AND DRUNG OBTAINED THEREFROM WARWICK EFFECT POLYMERS LTD (GB) 2009-04-01 EP claimed