SCHEMBL9001174

SCHEMBL9001174

CC(=O)ON=C(C)C(C)=NO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 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
SCHEMBL1424736 0.89 ALDH1A1 (0.39) TSHRTHRBBLMPMP22NPSR1
SCHEMBL2044917 0.89 ALDH1A1 (0.39) TSHRTHRBBLMPMP22NPSR1
SCHEMBL11239819 0.78 THRB (0.35) TSHRTHRBBLMPMP22NPSR1
SCHEMBL195594 0.78 TSHR (0.43) TSHRTHRBBLMPMP22NPSR1
SCHEMBL195595 0.78 TSHR (0.43) TSHRTHRBBLMPMP22NPSR1
SCHEMBL15829742 0.78 TSHR (0.43) TSHRTHRBBLMPMP22NPSR1
SCHEMBL25404483 0.76 ALDH1A1 (0.33) TSHRBLMPMP22LMNAALDH1A1
SCHEMBL11227362 0.75 THRB (0.32) TSHRTHRBBLMPMP22NPSR1
SCHEMBL7785069 0.75
Acetone SCHEMBL28483119 0.73 TSHR (0.67) TSHRTHRBBLMPMP22NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108467390-B Thiophene dimethylketoxime acetate containing biscarbazole as photoinitiator, preparation method and application thereof 三峡大学 2022-03-08 CN disclosed
EP-0163417-B2 Bleach products UNILEVER NV (NL) 1996-09-18 EP disclosed
US-5002679-A Sodium Perborate, Activator, Odorless LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-03-26 US disclosed
EP-0315480-A2 Polymer alloy of polyarylene thioether and a process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-05-10 EP disclosed
EP-0163417-A1 Bleach products UNILEVER N.V. (NL) 1985-12-04 EP disclosed
WO-1985005120-A1 BLEACH PRODUCTS UNILEVER PLC (GB) 1985-11-21 WO disclosed