SCHEMBL20180684

SCHEMBL20180684

C1=CB2N(C=C1)B(c1ccccc1)N(c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc1)B(c1ccccc1)N2c1ccccc1

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
SCHEMBL20180803 1.00
SCHEMBL20180801 0.98
SCHEMBL20180685 0.98
SCHEMBL20180700 0.80 PLA2G2A (0.31)
SCHEMBL20180689 0.79 PLA2G2A (0.31)
SCHEMBL20180755 0.77 FAAH (0.33)
SCHEMBL20735422 0.74 FAAH (0.33)
SCHEMBL20180734 0.69 FAAH (0.32)
SCHEMBL20734430 0.67 L3MBTL1 (0.45)
SCHEMBL14594696 0.67 LPL (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180226580-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-08-09 US disclosed
US-20180145264-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device UDC IRELAND LTD (IE) 2018-05-24 US disclosed