SCHEMBL3821147

SCHEMBL3821147

CC1=CC=CC(C)(Br)C1N

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
SCHEMBL22288289 0.78
SCHEMBL18894299 0.77
SCHEMBL9623477 0.76
SCHEMBL18301218 0.76
SCHEMBL21523495 0.74
SCHEMBL11138213 0.71
SCHEMBL287637 0.71
SCHEMBL9781520 0.71
SCHEMBL9156088 0.68
SCHEMBL7046837 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106278898-A A kind of peptide condensation reagent 3 ', 5 '-bis trifluoromethyl biphenyl-3,5-iodosobenzen ediacetate and preparation method thereof 南开大学 2017-01-04 CN claimed
CN-110352195-A Catalyst 博里利斯股份公司 2019-10-18 CN disclosed
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof APALENE TECHNOLOGY CO., LTD. (HANGZHOU) (CN) 2019-10-15 US disclosed
CN-110177798-A Catalyst 博里利斯股份公司 2019-08-27 CN disclosed
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF APALENE TECHNOLOGY CO., LTD. (JIAXING) (CN) 2018-05-31 US disclosed
CN-104107723-A Catalyst composition for ethylene oligomerization and application thereof CHINA PETROLEUM & CHEMICAL 2014-10-22 CN disclosed
CN-104107724-A Catalyst composition for ethylene oligomerization and application thereof CHINA PETROLEUM & CHEMICAL 2014-10-22 CN disclosed
CN-101970572-B Photocurable composition SEKISUI CHEMICAL CO LTD 2014-01-29 CN disclosed
WO-2009120826-A1 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF WYETH (US) 2009-10-01 WO disclosed
EP-2089384-A2 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-08-19 EP disclosed
WO-2008071587-A2 2-(PIPERIDIN-4-YL)-4-PHENOXY- OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed