SCHEMBL8596038

SCHEMBL8596038

CC(C)(C)c1n[nH]cc1B(c1c[nH]nc1C(C)(C)C)c1c[nH]nc1C(C)(C)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
SCHEMBL18603247 0.84
SCHEMBL1204756 0.71 CA1 (0.32)
SCHEMBL6850764 0.71
SCHEMBL3451735 0.71 MEN1 (0.33)
SCHEMBL2186233 0.70 HPGD (0.35)
SCHEMBL26849610 0.70
SCHEMBL16867126 0.70
SCHEMBL7976610 0.70
SCHEMBL21720030 0.70
SCHEMBL21720045 0.68 LMNA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816386-B1 Olefin polymerization catalyst having a multidentate ligand ASAHI CHEMICAL IND (JP) 1998-12-16 EP disclosed
US-5817724-A Olefin polymerization method using a highly active catalyst having a multidentate ligand ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-10-06 US disclosed
EP-0617052-B1 Olefin polymerization catalyst having a multidentate ligand ASAHI CHEMICAL IND (JP) 1998-06-03 EP disclosed
EP-0793497-A4 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF SLOAN KETTERING INST CANCER (US) 1998-01-28 EP disclosed
EP-0816386-A2 Olefin polymerization catalyst having a multidentate ligand Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-01-07 EP disclosed
EP-0793497-A1 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 1997-09-10 EP disclosed
WO-1996016655-A1 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-06-06 WO disclosed
EP-0617052-A2 Olefin polymerization catalyst having a multidentate ligand Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1994-09-28 EP disclosed