Acetone

Acetone

SCHEMBL8319174

CC(C)=O.COCCOC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 9/20 0.44
TSHR P16473 5/20 0.42
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.35

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
Acetone SCHEMBL11555965 0.90 CA2 (0.41) LMNAALDH1A1TSHRMGAMGAA
Acetic Acid SCHEMBL774951 0.89 FFAR3 (0.50) LMNAALDH1A1TSHRMGAMGAA
Acetic Acid SCHEMBL7261899 0.89 FFAR3 (0.50) LMNAALDH1A1TSHRMGAMGAA
Acetic Acid Methyl Ester SCHEMBL28848187 0.86 ALDH1A1 (0.67) LMNAALDH1A1TSHRMGAMGAA
Acetamide SCHEMBL14633167 0.86 ALOX15 (0.53) LMNAALDH1A1TSHRMGAMGAA
Acetone SCHEMBL9495889 0.85 ALDH1A1 (0.54) LMNAALDH1A1TSHRGAAHSD17B10
Bicarbonate SCHEMBL8455166 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMGAMGAASI
SCHEMBL17075837 0.83 MGAM (0.55) ALDH1A1TSHRMGAMGAASI
Butanone SCHEMBL28208826 0.83 ALDH1A1 (0.62) LMNAALDH1A1TSHRMGAMGAA
2-Methoxyethanol SCHEMBL6881752 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106463631-B Charge-transporting varnish 日产化学工业株式会社 2018-09-04 CN disclosed
CN-104893537-B A kind of production technology of the aqueous polyurethane coating with high tensile force coated film 江苏第二师范学院 2017-03-29 CN disclosed
CN-106463631-A Charge-transporting varnish 日产化学工业株式会社 2017-02-22 CN disclosed
EP-0916664-A1 Enynes used in the synthesis of antifungal agents Glaxo Wellcome, S.A. (ES) 1999-05-19 EP disclosed
EP-0570197-B1 Hydroxylamine derivatives ZENECA LTD (GB) 1995-12-13 EP disclosed
WO-1995030668-A1 CYCLIC ETHER DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ZENECA LIMITED (GB) 1995-11-16 WO disclosed
US-5453439-A Antiinflammatory agent, antiallergen; lipoxygenase inhibitor ZENECA LIMITED (GB) 1995-09-26 US disclosed
US-5334614-A Lipoxygenase inhibitor ZENECA LTD. (GB) 1994-08-02 US disclosed
EP-0570197-A1 Hydroxylamine derivatives ZENECA LIMITED (GB) 1993-11-18 EP disclosed
EP-0555067-A1 Hydroxylamine derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed