SCHEMBL25254474

SCHEMBL25254474

CC(OC(=O)CC(=O)OC(C)C1CCCC(C)(C)C1)C1CCCC(C)(C)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL3200798 0.96 IDH1 (0.33) IDH1IDO1TDO2
SCHEMBL3375353 0.93 MGAM (0.32) IDO1TDO2
SCHEMBL28643647 0.93 LMNA (0.33) IDH1
SCHEMBL3867901 0.92 MGAM (0.40)
SCHEMBL233611 0.92 MGAM (0.40)
SCHEMBL12332966 0.92 MGAM (0.40)
SCHEMBL19436038 0.92 MGAM (0.40)
SCHEMBL3871745 0.92 MGAM (0.40)
SCHEMBL22122816 0.90
SCHEMBL1396679 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541355-B1 MALODOR COUNTERACTANT COMPOSITION AND METHODS BELL FLAVORS AND FRAGRANCES INC (US) 2023-06-07 EP claimed