SCHEMBL7928098

SCHEMBL7928098

CCC(=O)C(C)O.CCC(O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 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
SCHEMBL107741 0.83
SCHEMBL805277 0.83
SCHEMBL1820421 0.83
SCHEMBL105913 0.83
SCHEMBL7712935 0.83
SCHEMBL1819319 0.83
SCHEMBL27849695 0.80
Ethane SCHEMBL9794523 0.80
SCHEMBL28287932 0.80
SCHEMBL29124840 0.80

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-6316676-B1 OXIDATION WITH OXYGEN USING CATALYST HAVING WEAR RESISTANT SILVER COATING BASF AKTIENGESELLSCHAFT (DE) 2001-11-13 US disclosed
US-6242653-B1 BY OXIDATION ON SILVER COATED CATALYST OR SILVER/COPPER CRYSTALS IN A SIMPLE AND ECONOMICAL MANNER, HIGH YIELDS AND PURITY, IMPROVED SELECTIVITY BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed
US-4260641-A Mixtures containing isobutyl substituted heterocyclic compounds and flavor use thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-04-07 US disclosed