SCHEMBL17040512

SCHEMBL17040512

C1=CC2=C(CC1)C1CCCCC1O2

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
SCHEMBL14236528 0.63 KDM4E (0.36)
SCHEMBL18678529 0.61
SCHEMBL14621073 0.61 PARP1 (0.36)
SCHEMBL14652754 0.60
SCHEMBL6678722 0.60
SCHEMBL12993406 0.59 CA1 (0.30)
SCHEMBL4312169 0.59 PRSS1 (0.33)
SCHEMBL2818065 0.59 PRSS1 (0.33)
SCHEMBL2818251 0.58 PRSS1 (0.32)
SCHEMBL20374315 0.57

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
EP-3345891-B1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-09-11 EP disclosed
EP-3345891-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-11 EP disclosed
US-9502656-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-22 US disclosed
US-20150243893-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-27 US disclosed