SCHEMBL11765166

SCHEMBL11765166

O=C(O)c1ccc(CCCSCCO)c(CCCSCCO)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 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
SCHEMBL11766085 0.94 CA2 (0.34) DHODH
SCHEMBL11797565 0.93 DHODH (0.32) DHODH
SCHEMBL11759380 0.92 ACLY (0.32) DHODH
SCHEMBL11755866 0.92 ACLY (0.32) DHODH
SCHEMBL11758300 0.92 ACLY (0.32) DHODH
SCHEMBL11762008 0.92 ACLY (0.32) DHODH
SCHEMBL11762063 0.90 DHODH (0.30) DHODH
SCHEMBL11764385 0.89 KMT2A (0.40)
SCHEMBL11760206 0.87 PTGS1 (0.38)
SCHEMBL11762460 0.87 BID (0.40)

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
US-4035337-A ALKYLTHIO ALKYL PHTHALATES ARMSTRONG CORK COMPANY (US) 1977-07-12 US disclosed