SCHEMBL8158074

SCHEMBL8158074

O=S(=O)(O)CCCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
APP P05067 1/20 0.34
TSHR P16473 1/20 0.34
LTA4H P09960 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8159899 0.98 SMN1; SMN2 (0.33) SMN1; SMN2APPTSHRLTA4HHDAC3
Carbon Monoxide SCHEMBL11109139 0.95 APP (0.31) SMN1; SMN2APPTSHRLTA4H
SCHEMBL8160080 0.94 SMN1; SMN2 (0.35) SMN1; SMN2APPTSHRLTA4HKDM4E
SCHEMBL8153480 0.93 SMN1; SMN2 (0.34) SMN1; SMN2APPTSHRLTA4HKDM4E
SCHEMBL8934009 0.86 TSHR (0.38) SMN1; SMN2TSHRLTA4HKDM4EALDH1A1
Tetrabuthylammonium SCHEMBL15345895 0.85 CA12 (0.36) TSHRALDH1A1MMP13TDP1
SCHEMBL8773423 0.85 TSHR (0.37) SMN1; SMN2TSHRLTA4HKDM4EALDH1A1
SCHEMBL11015342 0.85 CA2 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL27537336 0.85 TSHR (0.37) SMN1; SMN2TSHRLTA4HKDM4EALDH1A1
Fluoride SCHEMBL27518867 0.85 TSHR (0.37) SMN1; SMN2TSHRLTA4HKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022128833-A1 SOLID TRANSITION METAL-LIGAND COMPLEXES MERCK PATENT GMBH (DE) 2022-06-23 WO claimed
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP claimed
EP-0350922-B1 Process for catalyst-aldehyde product separation UNION CARBIDE CHEM PLASTIC (US) 1994-09-21 EP claimed
WO-2022128833-A1 SOLID TRANSITION METAL-LIGAND COMPLEXES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
US-8642778-B2 Ionic liquids MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP disclosed
EP-0805139-B1 HYDROFORMYLATION METHOD KURARAY CO (JP) 2000-04-26 EP disclosed
US-5773666-A CARRYING OUT REACTION IN THE PRESENCE OF A RHODIUM COMPOUND, A TERTIARY ORGANIC PHOSPHINE AND A POLAR ORGANIC COMPOUND KURARAY CO., LTD. (JP) 1998-06-30 US disclosed
EP-0805139-A1 HYDROFORMYLATION METHOD KURARAY CO., LTD. (JP) 1997-11-05 EP disclosed
EP-0350922-B1 Process for catalyst-aldehyde product separation UNION CARBIDE CHEM PLASTIC (US) 1994-09-21 EP disclosed
EP-0350922-A2 Process for catalyst-aldehyde product separation UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation) (US) 1990-01-17 EP disclosed