Oxalic Acid

Oxalic Acid

SCHEMBL7108633

COc1cccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCC3)cc2)c1.O=C(O)C(=O)O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.75
ESR2 Q92731 18/20 0.75

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
SCHEMBL7106179 0.95 ESR1 (0.83) ESR1ESR2
Hydrochloric Acid SCHEMBL7100901 0.94 ESR1 (0.82) ESR1ESR2
SCHEMBL7108651 0.89 ESR1 (0.79) ESR1ESR2
Hydrochloric Acid SCHEMBL7107405 0.88 ESR1 (0.77) ESR1ESR2
Oxalic Acid SCHEMBL7456731 0.87 ESR1 (0.91) ESR1ESR2
Hydrochloric Acid SCHEMBL7106595 0.87 ESR1 (0.84) ESR1ESR2
SCHEMBL7108371 0.87 ESR1 (0.87) ESR1ESR2
SCHEMBL7106791 0.87 ESR1 (0.65) ESR1ESR2
Oxalic Acid SCHEMBL7456866 0.86 ESR1 (0.80) ESR1ESR2
Arzoxifene SCHEMBL285277 0.86 ESR1 (1.00) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827959-B1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-5977382-A Benzo[b]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5977098-A Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5952513-A TREATING POSTMENOPAUSAL SYNDROME SUCH AS OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1999-09-14 US disclosed
US-5843965-A Benzo B! thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
EP-0827959-A2 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed