SCHEMBL123904

SCHEMBL123904

[Ni].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.92
CYP3A4 P08684 1/20 0.92
ESR1 P03372 4/20 0.63
ESR2 Q92731 4/20 0.63
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
DRD1 P21728 2/20 0.35
TSHR P16473 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL27439894 1.00 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL1991340 1.00 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL434375 1.00 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL29555335 1.00 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL1195618 1.00 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
Ammonia Solution, Strong SCHEMBL9146631 0.96 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Hydrochloric Acid SCHEMBL612491 0.96 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL809368 0.96 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL5241027 0.96 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Bromide SCHEMBL809433 0.96 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E

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

Appears in 2592 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025053792-A1 COLLECTIVE SYNTHESIS OF PHANTOMOLIN FAMILY THROUGH TOTAL SYNTHESIS OF THE SESQUITERPENE LACTONE MOLEPHANTIN NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-03-13 WO claimed
WO-2025036129-A1 METHOD FOR SYNTHESIZING RISDIPLAM INTERMEDIATE AND RISDIPLAM INTERMEDIATE 扬州联澳生物医药有限公司 2025-02-20 WO claimed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US claimed
CN-118307591-A Catalyst ligand for synthesizing adiponitrile and preparation method and application thereof 浙江新和成股份有限公司 2024-07-09 CN claimed
CN-118027445-A Transition metal organic compound co-doped conductive material and preparation method thereof 陕西科技大学 2024-05-14 CN claimed
CN-117986282-A Method for synthesizing chiral beta-aminoborate 武汉大学 2024-05-07 CN claimed
CN-114751936-B Method for phosphorylating amine, amide, alcohol and mercaptan 河南大学 2024-03-29 CN claimed
CN-117019215-A Catalyst for alkane isomerization reaction and preparation method and application thereof 山东京博石油化工有限公司 2023-11-10 CN claimed
CN-116947696-A Method for synthesizing adiponitrile by in-situ catalysis 刘凯凯 2023-10-27 CN claimed
CN-116947865-A Synthesis method of risperidone intermediate and Li Sipu blue intermediate 奥锐特药业(天津)有限公司 2023-10-27 CN claimed
EP-0561398-A1 Ethylene dimerization PHILLIPS PETROLEUM COMPANY (US) 1993-09-22 EP claimed
US-5237118-A Contacting in reaction solution organonickel and phosphine compounds, mixing in ethylene and fluorinated organic acid PHILLIPS PETROLEUM COMPANY (US) 1993-08-17 US claimed
US-5221775-A Producing reaction mixture of butenes by contacting with organonickel compound, a phosphine compound in liquid phase in presence of fluorinated alcohol solvent PHILLIPS PETROLEUM COMPANY (US) 1993-06-22 US claimed
US-5210360-A Catalyst formed by contacting organonickel component in zero valence state or able to undergo reduction to zero valence state, a phenol and a hydrocarbyl phosphine PHILLIPS PETROLEUM COMPANY (US) 1993-05-11 US claimed
EP-0494419-A2 Process for the preparation of 5-(2,4-difluorophenyl)-salicylic acid ZAMBON GROUP S.p.A. (IT) 1992-07-15 EP claimed
US-4990647-A Process for the preparation of unsymmetric biaryl compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US claimed
US-4120882-A NICKEL COMPLEXED WITH PHOSPHINE, PHOSPHITE, STILBENE, OR ARSINE LIGANDS, CATALYSTS STUDIENGESELLSCHAFT KOHLE M.B.H. (DE) 1978-10-17 US claimed
US-4087452-A Process of hydrocyanation of unsaturated organic compounds containing at least one ethylenic double bond RHONE-POULENC INDUSTRIES (FR) 1978-05-02 US claimed
US-4055582-A Synthesis of nickel and palladium organophosphorus complexes PHILLIPS PETROLEUM COMPANY (US) 1977-10-25 US claimed
US-3933770-A Method of preparing transition metal complex catalysts TOKYO INSTITUTE OF TECHNOLOGY (JA) 1976-01-20 US claimed