SCHEMBL12867306

SCHEMBL12867306

I/C=C/CI

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
SCHEMBL17705979 1.00
SCHEMBL1170802 1.00
SCHEMBL499165 0.75
SCHEMBL3434947 0.75
SCHEMBL499166 0.75
SCHEMBL11653621 0.67
SCHEMBL11653623 0.67
SCHEMBL66538 0.64
SCHEMBL16421296 0.64
SCHEMBL7042734 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101311176-A Isoquinoline compounds, preparation method and use thereof SHANGHAI INST MATERIA MEDICA (CN) 2008-11-26 CN claimed
US-8471043-B2 Platensimycin derivatives, their intermediates, and process for preparing the same, and new process for preparing platensimycin SNU R&DB FOUNDATION (KR) 2013-06-25 US disclosed
US-8471043-B2 Platensimycin derivatives, their intermediates, and process for preparing the same, and new process for preparing platensimycin SNU R&DB FOUNDATION (KR) 2013-06-25 US disclosed
US-20110028741-A1 Novel Platensimycin Derivatives, Their Intermediates, and Process for Preparing the Same, and New Process for Preparing Platensimycin SNU R&DB FOUNDATION (KR) 2011-02-03 US disclosed
US-20110028741-A1 Novel Platensimycin Derivatives, Their Intermediates, and Process for Preparing the Same, and New Process for Preparing Platensimycin SNU R&DB FOUNDATION (KR) 2011-02-03 US disclosed
WO-2009125938-A2 NOVEL PLATENSIMYCIN DERIVATIVES, THEIR INTERMEDIATES, AND PROCESS FOR PREPARARING THE SAME, AND NEW PROCESS FOR PREPARING PLATENSIMYCIN SNU R&DB FOUNDATION (KR) 2009-10-15 WO disclosed
CN-101311176-A Isoquinoline compounds, preparation method and use thereof SHANGHAI INST MATERIA MEDICA (CN) 2008-11-26 CN disclosed