SCHEMBL5828913

SCHEMBL5828913

c1ccc(P(Cc2ccc3ccccc3c2-c2cccc3ccccc23)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
DHFR P00374 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
WDR5 P61964 1/20 0.34
TYMP P19971 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SOS1 Q07889 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
SCHEMBL8537985 0.91 DNMT1 (0.37) DNMT1ALDH1A1MEN1MAPTKMT2A
SCHEMBL29447338 0.89 ALDH1A1 (0.39) DNMT1ALDH1A1MAPTWDR5TDP1
SCHEMBL3955072 0.89 ALDH1A1 (0.39) DNMT1ALDH1A1MAPTWDR5TDP1
SCHEMBL29695262 0.87 ALDH1A1 (0.38) DNMT1ALDH1A1MAPTWDR5TDP1
Potassium SCHEMBL29695394 0.85 WDR5 (0.37) DNMT1ALDH1A1MAPTWDR5TDP1
SCHEMBL4537883 0.82 GPR84 (0.37) DNMT1ALDH1A1MEN1MAPTKMT2A
SCHEMBL10409108 0.80 CYP1A2 (0.31) DNMT1HPGDHSD17B10
SCHEMBL8020132 0.80 CYP2A6 (0.41) ALDH1A1MAPTHPGDWDR5TDP1
SCHEMBL8056031 0.80 CES1 (0.36) ALDH1A1MEN1MAPTKMT2AGPR84
SCHEMBL9014995 0.79 WDR5 (0.33) ALDH1A1MAPTWDR5TDP1CYP2A6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909014-A Hydroformylation method and catalyst for preparing isononanal from diisobutylene 惠州凯特立斯科技有限公司 2020-11-10 CN claimed
JP-8053482-A None JP disclosed
CN-114206820-B Recovery of component (C)4) Alkanals and aldehydes 伊士曼化工公司 2024-05-10 CN disclosed
CN-117836267-A Process for preparing omega-aminocarboxylic acids and derivatives thereof 维尔萨利斯股份公司 2024-04-05 CN disclosed
CN-111909014-B Hydroformylation reaction method and catalyst for preparing isononyl aldehyde from diisobutylene 广东欧凯新材料有限公司 2023-10-31 CN disclosed
CN-116323629-A Process for preparing sulphonated arylphosphines 韩华思路信(株) 2023-06-23 CN disclosed
CN-114423803-A Process for preparing polyesters with recycled monomers from pyrolysis and methanolysis 伊士曼化工公司 2022-04-29 CN disclosed
CN-114206820-A Recovered component (C)4) Alkanals 伊士曼化工公司 2022-03-18 CN disclosed
CN-114206821-A Recovering component (C4) alkanoic acid 伊士曼化工公司 2022-03-18 CN disclosed
CN-114174375-A Recycling constituent cyclobutanediol polyester 伊士曼化工公司 2022-03-11 CN disclosed
CN-111909014-A Hydroformylation method and catalyst for preparing isononanal from diisobutylene 惠州凯特立斯科技有限公司 2020-11-10 CN disclosed
US-7102034-B2 Process for preparing sulfonated arylphosphines CELANESE CHEMICALS EUROPE GMBH (DE) 2006-09-05 US disclosed
US-5565398-A Sulfonated 2,2'-bis (Diphenylphosphinomethyl)-1,1'-binaphthalenes, process for their preparation and their use in a process for the hydroformylation of olefinically unsaturated compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed
JP-H0853482-A PALLADIUM CATALYST CONTAINING SULFONATED BISPHOSPHINE AS LIGAND, ITS PREPARATION AND ITS USE IN CARBONYLATION REACTION HOECHST AG 1996-02-27 JP disclosed
US-5481045-A Sulfonated 2,2'-bis (diphenylphosphinomethyl)-1,1'-binaphthalenes, process for their preparation and their use in a process for the hydroformylation of olefinically unsaturated compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
US-5347045-A Sulfonated 2,2'-bis (diphenylphosphinomethyl)-1,1'-binaphthalenes, process for their preparation and their use in a process for the hydroformylation of olefinically unsaturated compounds HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-13 US disclosed