SCHEMBL8098459

SCHEMBL8098459

C=C1COC(=O)N1.C=CCOC(=O)N1C[C@H](O)C[C@@H]1CCO

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.30

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
SCHEMBL8107969 0.85 ECE1 (0.32)
Ammonia Solution, Strong SCHEMBL9603320 0.84
SCHEMBL9218673 0.83 SIGMAR1 (0.33) CYP19A1
SCHEMBL8833539 0.83 SIGMAR1 (0.33) CYP19A1
SCHEMBL9369573 0.75 SIGMAR1 (0.33) CYP19A1
SCHEMBL5490043 0.75 SIGMAR1 (0.33) CYP19A1
SCHEMBL9220972 0.68 SIGMAR1 (0.31)
SCHEMBL8832944 0.68 SIGMAR1 (0.31)
SCHEMBL9027680 0.68 SIGMAR1 (0.31)
SCHEMBL9026767 0.68 SIGMAR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed