Butanedione

Butanedione

SCHEMBL10788198

CC(=O)C(C)=O.NC(=S)S

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
THPO P40225 1/20 0.50
LMNA P02545 3/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
TAS2R38 P59533 1/20 0.43
TDP1 Q9NUW8 2/20 0.37
CA4 P22748 2/20 0.33
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OR51E2 Q9H255 1/20 0.33
CRBN Q96SW2 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

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
Acetic Acid SCHEMBL3803560 0.86
Butanedione SCHEMBL9878247 0.85 TSHR (0.58) TSHRTHPOLMNAALOX15BLM
Acetic Acid SCHEMBL28163830 0.83
Acetic Acid SCHEMBL28163765 0.83
SCHEMBL11146863 0.81 ALDH1A1 (0.42) TSHRTHPOLMNAALOX15BLM
Urea SCHEMBL27396613 0.81
Acetic Acid SCHEMBL28163767 0.80
Acetic Acid SCHEMBL28163832 0.80
Acetic Acid SCHEMBL497421 0.78 FFAR3 (0.41) LMNAALOX15BLMPMP22TAS2R38
SCHEMBL31749050 0.78 TDP1 (0.71) LMNAALOX15BLMPMP22TAS2R38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4530746-A Oxygen containing ring with vinyl substitution as monomer HITACHI, LTD. (JP) 1985-07-23 US claimed
EP-0095182-B1 PHOTOSENSITIVE RESIN COMPOSITION HITACHI, LTD. (JP) 1987-08-12 EP disclosed
US-4530746-A Oxygen containing ring with vinyl substitution as monomer HITACHI, LTD. (JP) 1985-07-23 US disclosed
EP-0095182-A2 Photosensitive resin composition HITACHI, LTD. (JP) 1983-11-30 EP disclosed