SCHEMBL739399

SCHEMBL739399

Brc1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
CYP3A4 P08684 1/20 0.67
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 2/20 0.50
CYP2A6 P11509 2/20 0.44
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
HTR2A P28223 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2462689 1.00 TDP1 (0.67) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL3757571 0.88 CYP2A6 (0.57) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL1301471 0.85 TDP1 (0.92) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL16094788 0.85 TDP1 (0.92) TDP1CYP3A4ESR1ESR2ALDH1A1
Bromide SCHEMBL11573188 0.82 TDP1 (0.86) TDP1CYP3A4ESR1ESR2ALDH1A1
Hydrochloric Acid SCHEMBL2018015 0.82 TDP1 (0.86) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL101 0.82 TDP1 (1.00) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL2085135 0.82 TDP1 (1.00) TDP1CYP3A4ESR1ESR2ALDH1A1
Benzene SCHEMBL6890099 0.82 TDP1 (1.00) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL5028587 0.82 TDP1 (1.00) TDP1CYP3A4ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116355011-A Cinnamic acid derivative, preparation method and application thereof, and hydromagnesite composite powder, preparation method and application thereof 江西广源新材料有限公司 2023-06-30 CN claimed
CN-113185550-B Fluorescent sensor for detecting gelation degree of Pickering emulsion and preparation and application thereof 井冈山大学 2022-04-19 CN claimed
CN-113185550-A Fluorescent sensor for detecting gelation degree of Pickering emulsion and preparation and application thereof 井冈山大学 2021-07-30 CN claimed
CN-103288863-B Method for hydrosilylation UNIV HANGZHOU NORMAL 2015-07-22 CN claimed
CN-103288863-A Method for hydrosilylation UNIV HANGZHOU NORMAL 2013-09-11 CN claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0174174-B1 A METHOD OF STABILISING HYDROXY-CONTAINING POLYMERS OF BUTADIENE OR SUBSTITUTED DERIVATIVES THEREOF ELF ATOCHEM S.A. (FR) 1990-05-23 EP claimed
US-4593128-A Using a di- or triphenylphosphine compound ATLANTIC RICHFIELD COMPANY (US) 1986-06-03 US claimed
EP-0174174-A2 A method of stabilising hydroxy-containing polymers of butadiene or substituted derivatives thereof ELF ATOCHEM S.A. (FR) 1986-03-12 EP claimed
CN-114616228-B Compound, polymerizable composition, polymer, hologram recording medium, optical material, and optical member 三菱化学株式会社 2024-12-20 CN disclosed
CN-112566893-B Preparation of diesters of (meth) acrylic acid from epoxides 赢创运营有限公司 2024-03-01 CN disclosed
EP-3259786-B1 SEMICONDUCTING MATERIAL AND NAPHTOFURANE MATRIX COMPOUND FOR IT NOVALED GMBH (DE) 2023-08-30 EP disclosed
US-4209468-A Triaryl-phosphine compounds THE PROCTER & GAMBLE COMPANY (US) 1980-06-24 US disclosed
US-4098911-A FOOD ANTIOXIDANTS THE PROCTER & GAMBLE COMPANY (US) 1978-07-04 US disclosed
US-3987009-A TRANSITION METAL CATALYST COMPOSITIONS UNION CARBIDE CORPORATION (US) 1976-10-19 US disclosed