SCHEMBL313161

SCHEMBL313161

O=C1CCC(=O)N1Br.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
PARL Q9H300 4/20 0.38
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 3/20 0.33
PKM P14618 2/20 0.33
ALOX12 P18054 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RECQL P46063 1/20 0.31
RAF1 P04049 1/20 0.31
MAPK3 P27361 1/20 0.31

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
Benzene SCHEMBL11532219 0.82 PARL (0.39) PARLNOTUMALDH1A1PKMALOX12
Succinchlorimide SCHEMBL312793 0.79 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2PARL
SCHEMBL11197983 0.79 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2PARL
SCHEMBL1591406 0.79 CYP3A4 (0.44) CYP3A4TDP1ESR1ESR2PARL
SCHEMBL2201542 0.74
SCHEMBL10376304 0.74
SCHEMBL789244 0.71 TDP1 (0.75) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL29620307 0.71 TDP1 (0.75) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL6675001 0.71 PARL (0.30) PARL
Iodide SCHEMBL31365449 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784923-B Diamine monomer for preparing polyimide film, preparation method thereof and polyimide film 宁波博雅聚力新材料科技有限公司 2024-06-14 CN claimed
CN-115784923-A Diamine monomer for preparing polyimide film, preparation method of diamine monomer and polyimide film 宁波博雅聚力新材料科技有限公司 2023-03-14 CN claimed
CN-101863792-B Amide oligomer and polyamide paste rheological aid prepared by swelling same CAS GUANGZHOU CHEMISTRY CO LTD 2013-07-03 CN claimed
CN-101863792-A Amide oligomer and polyamide paste rheological aid prepared by swelling same GUANGZHOU CHEMISTRY CO LTD CAS 2010-10-20 CN claimed
WO-2001072704-A1 AZETIDINONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A METHOD FOR PRODUCING 1-β-ALKYL AZETIDINONE USING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2001-10-04 WO claimed
CN-116444394-B Diamine monomer for preparing polyimide film, preparation method thereof and polyimide film 宁波博雅聚力新材料科技有限公司 2024-06-14 CN disclosed
CN-115784923-B Diamine monomer for preparing polyimide film, preparation method thereof and polyimide film 宁波博雅聚力新材料科技有限公司 2024-06-14 CN disclosed
CN-115197432-B Antibacterial/antiviral polymer material and preparation method thereof 中国科学院长春应用化学研究所 2024-03-26 CN disclosed
CN-117517377-A Method for detecting grafting rate of amphiphilic graft copolymer 爱美客技术发展股份有限公司 2024-02-06 CN disclosed
CN-117126409-A Grafted polymer material and preparation method and application thereof 爱美客技术发展股份有限公司 2023-11-28 CN disclosed
EP-3559007-B1 SULFONAMIDE COMPOUNDS HAVING TNAP INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2023-08-16 EP disclosed
CN-116444394-A Diamine monomer for preparing polyimide film, preparation method thereof and polyimide film 宁波博雅聚力新材料科技有限公司 2023-07-18 CN disclosed
US-5126345-A Viricides E. R. SQUIBB & SONS, INC. (US) 1992-06-30 US disclosed
WO-1991018969-A1 FLUORINATED BIS(HYDROXYMETHYL)CYCLOBUTYL PURINES AND PYRIMIDINES E.R. SQUIBB & SONS, INC. (US) 1991-12-12 WO disclosed
EP-0458363-A1 Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines E.R. SQUIBB & SONS, INC. (US) 1991-11-27 EP disclosed
EP-0335355-A2 Bis-(hydroxymethyl) cyclobutyl purines and pyrimidines E.R. Squibb & Sons, Inc. (US) 1989-10-04 EP disclosed
US-4191842-A Protected alcohols HOFFMANN-LA ROCHE INC. (US) 1980-03-04 US disclosed
US-4151205-A Synthesis of vitamin E HOFFMAN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4066753-A Neomycin and paromomycin derivatives CANADIAN PATENTS AND DEVELOPMENT LIMITED (CA) 1978-01-03 US disclosed
US-4051153-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-09-27 US disclosed