SCHEMBL8827239

SCHEMBL8827239

CC(=CC(C)COS(=O)(=O)O)C(=O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1623092 0.77 APEX1 (0.33)
SCHEMBL8520452 0.76 SLC22A6 (0.30)
SCHEMBL2114534 0.73 TSHR (0.33)
SCHEMBL9067072 0.73 PTGS1 (0.32)
SCHEMBL3311518 0.72 APEX1 (0.32)
SCHEMBL5969152 0.71 TSHR (0.38)
Ammonia Solution, Strong SCHEMBL8444187 0.70 APEX1 (0.31)
SCHEMBL16193609 0.70 MGAM (0.38)
SCHEMBL2871424 0.70 GRIK1 (0.31)
SCHEMBL1839680 0.70 GRIK1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5660847-A Implantable delivery dispenser comprising exit port ALZA CORPORATION (US) 1997-08-26 US disclosed
EP-0491803-B1 IMPLANTABLE DELIVERY DISPENSER ALZA CORP (US) 1994-07-20 EP disclosed
EP-0491803-A1 IMPLANTABLE DELIVERY DISPENSER. ALZA CORP (US) 1992-07-01 EP disclosed
US-5112614-A IMPLANTABLE DELIVERY DISPENSER ALZA CORPORATION (US) 1992-05-12 US disclosed
WO-1991004016-A1 IMPLANTABLE DELIVERY DISPENSER ALZA CORPORATION (US) 1991-04-04 WO disclosed