SCHEMBL1304753

SCHEMBL1304753

O=[PH](c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CYP2A6 P11509 7/20 0.42
CYP1A2 P05177 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.42
GSTP1 P09211 1/20 0.41
ALOX12 P18054 1/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40

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
SCHEMBL29613122 1.00 CES2 (0.43) CES2CES1CYP2A6CYP1A2CA1
SCHEMBL13240565 0.93 CES2 (0.39) CES2CES1CYP2A6CYP1A2CA1
SCHEMBL27585853 0.88 CYP1A2 (0.54) CES2CES1CYP1A2ALDH1A1HSD17B10
SCHEMBL21874413 0.83 CYP2A6 (0.46) CES2CES1CYP2A6CYP1A2CA1
SCHEMBL28669426 0.81 CYP2A6 (0.44) CES2CES1CYP2A6CYP1A2CA1
SCHEMBL28142964 0.81 CYP2A6 (0.44) CES2CES1CYP2A6CYP1A2CA1
SCHEMBL757142 0.81 CES2 (0.45) CES2CES1CYP2A6CYP1A2CA1
SCHEMBL19960410 0.78 ALDH1A1 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TDP1
SCHEMBL21874410 0.76 UGT2B7 (0.42) CES2CES1CYP2A6CYP1A2CA1
SCHEMBL936952 0.75 ALDH1A1 (0.41) CES2CES1CYP2A6CYP1A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010896-B Novel method for preparing phosphonate by oxidative dehydrogenation coupling of copper-catalyzed diaryl phosphorus oxide and alcohol 湖南理工学院 2022-08-19 CN claimed
CN-112010897-B Novel method for preparing thiophosphonate through oxidative dehydrogenation coupling of copper-catalyzed diaryl phosphorus oxide and mercaptan 湖南理工学院 2022-08-19 CN claimed
CN-109096331-B Method for preparing o-diaryl phosphoryl substituted phenol derivative 湖南理工学院 2021-10-01 CN claimed
CN-112010897-A Novel method for preparing thiophosphonate through oxidative dehydrogenation coupling of copper-catalyzed diaryl phosphorus oxide and mercaptan 湖南理工学院 2020-12-01 CN claimed
CN-112010896-A Novel method for preparing phosphonate by oxidative dehydrogenation coupling of copper-catalyzed diaryl phosphorus oxide and alcohol 湖南理工学院 2020-12-01 CN claimed
CN-117069761-B (Z) -gem-fluorophosphine compound and preparation method and application thereof 南京工业大学 2025-05-23 CN disclosed
CN-117164627-B Ketone phosphine oxide compound containing trifluoromethyl quaternary carbon center, preparation method and application thereof 南京工业大学 2025-04-22 CN disclosed
CN-119431439-A Method for preparing 2-formylaryl (phosphinic) phosphine/phosphoramide compound 岳阳凯茂化工材料有限公司 2025-02-14 CN disclosed
CN-116789702-B Fluorination method of phosphonic acid compound 浙江工业大学 2024-11-26 CN disclosed
CN-118184701-A Phosphono-substituted 3-methyleneoxindole compound and preparation and application thereof 浙江工业大学 2024-06-14 CN disclosed
CN-117164627-A Ketone phosphine oxide compound containing trifluoromethyl quaternary carbon center, preparation method and application thereof 南京工业大学 2023-12-05 CN disclosed
CN-117069761-A (Z) -gem-fluorophosphine compound and preparation method and application thereof 南京工业大学 2023-11-17 CN disclosed
EP-0771812-B1 Method for producing an optically active diphosphine TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
EP-0754696-B1 Unsymmetric diphosphine monoxide compounds and a process for preparing diphosphine compounds TAKASAGO PERFUMERY CO LTD (JP) 2002-01-16 EP disclosed
US-5922918-A Method for making an optically active diphosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-07-13 US disclosed
US-5808162-A Chiral unsymmetric diphosphine compound and transition metal complex containing the same as ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-09-15 US disclosed
EP-0839819-A1 Method of preparing optically active diphosphine ligands Takasago International Corporation (JP) 1998-05-06 EP disclosed
US-5693868-A REACTING 2,2'-BIS(TRIFLUOROMETHANESULFONYLOXY)-1,1-BINAPHTHYL WITH A PHOSPHINE OXIDE IN THE PRESENCE OF A TRANSITION METAL-PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-12-02 US disclosed
EP-0771812-A1 Method for producing an optically active diphosphine Takasago International Corporation (JP) 1997-05-07 EP disclosed
EP-0754696-A1 Chiral unsymmetric diphosphine compounds and transition metal complexes containing them as ligands Takasago International Corporation (JP) 1997-01-22 EP disclosed