SCHEMBL8073398

SCHEMBL8073398

CCC(CC)CCC(O)(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL4885194 0.88 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4889216 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2332643 0.80 ALDH1A1 (0.50) ALDH1A1
SCHEMBL4894993 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4890337 0.77 ALDH1A1 (0.58) ALDH1A1
SCHEMBL4889335 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL3106940 0.76 MEN1 (0.33) ALDH1A1
SCHEMBL28292098 0.75
SCHEMBL28292101 0.75
SCHEMBL19445608 0.75 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013618-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS PROCTER & GAMBLE COMPANY (US) 2000-01-11 US disclosed
US-4331562-A IN THE PRESENCE OF A PALLADIUM OR RUTHENIUM CATALYST PHILLIPS PETROLEUM COMPANY (US) 1982-05-25 US disclosed
US-4261927-A PLLADIUM OR RUTHENIUM CATALYST, METAL NITRATE PROMOTER PHILLIPS PETROLEUM COMPANY (US) 1981-04-14 US disclosed