SCHEMBL9580647

SCHEMBL9580647

O=C1OC(=O)C2CC(SC3=CCC4C(=O)OC(=O)C4C3)=CCC12

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.44
PGGT1B P53609 2/20 0.44
FNTB P49356 1/20 0.38

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
SCHEMBL9580690 0.80 FNTA (0.36) FNTAPGGT1BFNTB
SCHEMBL2265747 0.73 FNTA (0.49) FNTAPGGT1BFNTB
SCHEMBL8533602 0.73 ALDH1A1 (0.46) FNTAPGGT1BFNTB
SCHEMBL9450396 0.73 FNTA (0.45) FNTAPGGT1BFNTB
SCHEMBL354462 0.73 FNTA (0.49) FNTAPGGT1BFNTB
SCHEMBL23504250 0.73 FNTA (0.45) FNTAPGGT1BFNTB
SCHEMBL2265750 0.73 FNTA (0.49) FNTAPGGT1BFNTB
SCHEMBL9450249 0.73 FNTA (0.45) FNTAPGGT1BFNTB
SCHEMBL9580701 0.72 ALDH1A1 (0.34)
SCHEMBL9563129 0.69 FNTA (0.45) FNTAPGGT1BFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187285-A Producing bis(alicyclic) thioethers ETHYL CORPORATION (US) 1993-02-16 US claimed
US-4798900-A Producing bis(alicyclic) thioethers ETHYL CORPORATION (US) 1989-01-17 US claimed
US-5187285-A Producing bis(alicyclic) thioethers ETHYL CORPORATION (US) 1993-02-16 US disclosed
US-4994580-A Producing bis (alicyclic) thioethers ETHYL CORPORATION (US) 1991-02-19 US disclosed
US-4892965-A Producing bis (alicyclic) thioethers ETHYL CORPORATION (US) 1990-01-09 US disclosed
US-4866184-A Producing bis(alicyclic) thioethers ETHYL CORPORATION (US) 1989-09-12 US disclosed
US-4798900-A Producing bis(alicyclic) thioethers ETHYL CORPORATION (US) 1989-01-17 US disclosed