SCHEMBL7722741

SCHEMBL7722741

CC(C)(C)c1[c]c(C(C)(C)C)cc(Br)c1

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
SCHEMBL3743520 0.87
SCHEMBL150439 0.74 GABRA1 (0.43)
SCHEMBL11707700 0.72 TSHR (0.37)
SCHEMBL224456 0.72 GABRA1 (0.48)
SCHEMBL8168542 0.70 ALDH1A1 (0.33)
SCHEMBL207358 0.70 ALDH1A1 (0.30)
SCHEMBL8391443 0.70 HPN (0.33)
SCHEMBL4251802 0.69
SCHEMBL8961274 0.69 CYP1A2 (0.34)
SCHEMBL284609 0.69 HSPA5 (0.39)

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-3052229-B1 IMMOBILIZED METATHESIS TUNGSTEN OXO ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS VERBIO VER BIOENERGIE AG (DE) 2021-02-24 EP disclosed
EP-3749674-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-12-16 EP disclosed
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-11-26 US disclosed
US-10427146-B2 Immobilized metathesis tungsten oxo alkylidene catalysts and use thereof in olefin metathesis XIMO AG (CH) 2019-10-01 US disclosed
WO-2019157376-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-08-15 WO disclosed
US-20160236185-A1 IMMOBILIZED METATHESIS TUNGSTEN OXO ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS VERBIO SE (DE) 2016-08-18 US disclosed
EP-3052229-A1 IMMOBILIZED METATHESIS TUNGSTEN OXO ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS XiMo AG (CH) 2016-08-10 EP disclosed
US-6383698-B1 MULTILAYER PHOTOSENSITIVE MATERIAL WITH CHARGE GENERATING AND ELECTRON TRANSFERRING MATERIAL KYOCERA MITA CORPORATION (JP) 2002-05-07 US disclosed