SCHEMBL9580700

SCHEMBL9580700

O=C(O)C1=C(C(=O)O)CC(SC2=CCC(C(=O)O)=C(C(=O)O)C2)=CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.31

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
SCHEMBL9316655 0.71 PYGM (0.32) PYGM
SCHEMBL31518852 0.71 PYGM (0.32) PYGM
SCHEMBL31518881 0.67 CA1 (0.32)
SCHEMBL11430568 0.66 FFAR3 (0.36) PYGM
SCHEMBL2296442 0.66
SCHEMBL890639 0.65 PYGM (0.52) PYGM
SCHEMBL4827017 0.59 PYGM (0.33) PYGM
SCHEMBL17701125 0.57 CYP1A2 (0.48)
SCHEMBL30225424 0.57 CYP1A2 (0.48)
SCHEMBL7307594 0.57 PYGM (0.30) PYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4892965-A Producing bis (alicyclic) thioethers ETHYL CORPORATION (US) 1990-01-09 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-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-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-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-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
US-4798900-A Producing bis(alicyclic) thioethers ETHYL CORPORATION (US) 1989-01-17 US disclosed