SCHEMBL6933866

SCHEMBL6933866

CC(C)N1N=C(C(=O)O)C(O)(O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6928265 0.75 GAA (0.39) GAATDP1
SCHEMBL6933456 0.67 GAA (0.30) GAATDP1
SCHEMBL6727542 0.62 GAA (0.34) GAATDP1
SCHEMBL6930216 0.59 GAA (0.31) GAATDP1
Isobutane SCHEMBL43551 0.45 CA1 (0.56)
Isobutane SCHEMBL28410846 0.45 CA1 (0.56)
Isobutane SCHEMBL6337855 0.45 CA1 (0.56)
Isobutane SCHEMBL132611 0.45 CA1 (0.56)
Isobutane SCHEMBL5453 0.45 CA1 (0.56)
Isobutane SCHEMBL28694060 0.45 CA1 (0.56)

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-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US claimed
EP-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP disclosed
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US disclosed
EP-0903342-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP disclosed