SCHEMBL6677589

SCHEMBL6677589

CC(C)(C)c1ccc(-c2ccccc2)c(Br)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR2 Q92731 1/20 0.32
GAA P10253 1/20 0.31
PLAU P00749 1/20 0.31
ALOX5 P09917 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
BACE1 P56817 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL27883686 0.98 ALDH1A1 (0.36) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL28506719 0.82 ALDH1A1 (0.35) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL9300504 0.81 HDAC3 (0.32) ALDH1A1MAPK1
SCHEMBL28985273 0.80 ALDH1A1 (0.36) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL25258472 0.78 FEN1 (0.40) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL18074251 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTDP1ESR2PLAU
SCHEMBL28882059 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL348409 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTDP1ESR2PLAU
SCHEMBL30135690 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTDP1ESR2PLAU
SCHEMBL28567873 0.76 CTRC (0.37) ALDH1A1MAPK1MEN1KMT2ATSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102617466-B Top-bottom asymmetrical tert-butyl spirobifluorene compound UNIV SHANGHAI 2014-04-23 CN claimed
CN-102627522-B Synthesis method of indenofluorene derivatives, isotruxene and mono-substituted isotruxene derivatives UNIV EAST CHINA NORMAL 2013-11-27 CN claimed
CN-102126963-B Spirobifluorene amido compound and preparation method thereof UNIV SHANGHAI 2013-10-16 CN claimed
CN-102627522-A Synthesis method of indenofluorene derivatives, isotruxene and mono-substituted isotruxene derivatives UNIV EAST CHINA NORMAL 2012-08-08 CN claimed
CN-102617466-A Top-bottom asymmetrical tert-butyl spirobifluorene compound UNIV SHANGHAI 2012-08-01 CN claimed
CN-102126963-A Spirobifluorene amido compound and preparation method thereof UNIV SHANGHAI 2011-07-20 CN claimed
CN-109970775-A A kind of boracic electroluminescent organic material, preparation method and applications 中节能万润股份有限公司 2019-07-05 CN disclosed
CN-105754589-B Electron transport material, its preparation method and the organic electroluminescence device including the electron transport material 中节能万润股份有限公司 2017-12-12 CN disclosed
CN-105440004-B A kind of electroluminescent organic material and its application 中节能万润股份有限公司 2017-09-29 CN disclosed
CN-106220514-A A kind of Spirobifluorene compound containing the tert-butyl group and preparation thereof and application 上海师范大学 2016-12-14 CN disclosed
CN-105754589-A Electronic transmission material, preparation method thereof and organic electroluminescence device including electronic transmission material 中节能万润股份有限公司 2016-07-13 CN disclosed
CN-105440004-A Organic electroluminescent material and application thereof VALIANT CO LTD 2016-03-30 CN disclosed
CN-102617466-B Top-bottom asymmetrical tert-butyl spirobifluorene compound UNIV SHANGHAI 2014-04-23 CN disclosed
CN-102126963-B Spirobifluorene amido compound and preparation method thereof UNIV SHANGHAI 2013-10-16 CN disclosed
CN-102627522-A Synthesis method of indenofluorene derivatives, isotruxene and mono-substituted isotruxene derivatives UNIV EAST CHINA NORMAL 2012-08-08 CN disclosed
CN-102617466-A Top-bottom asymmetrical tert-butyl spirobifluorene compound UNIV SHANGHAI 2012-08-01 CN disclosed
CN-102351639-A Preparation method for 2,7-dibromo-9,9'-spirobifiuorene UNIV SHANGHAI 2012-02-15 CN disclosed
CN-102126963-A Spirobifluorene amido compound and preparation method thereof UNIV SHANGHAI 2011-07-20 CN disclosed
EP-1469057-A2 Polymer, polymer for forming organic electroluminescence device, polymer composition for organic electroluminescence device and organic electroluminescence device JSR Corporation (JP) 2004-10-20 EP disclosed
US-20040202892-A1 Polymer, polymer for forming organic electroluminescence device, polymer composition for organic electroluminescence device and organic electroluminescence device JSR CORPORATION (JP) 2004-10-14 US disclosed