SCHEMBL7180975

SCHEMBL7180975

O=[C]CNCC1=CC(O)C(O)C(O)C1

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
SCHEMBL13293233 0.71
SCHEMBL13429391 0.69 MGAM (0.30)
Shikimic Acid SCHEMBL5875125 0.61
SCHEMBL13811311 0.60 ALDH1A1 (0.32)
SCHEMBL10168016 0.60 ALDH1A1 (0.32)
SCHEMBL10558611 0.60
SCHEMBL13912374 0.60
SCHEMBL13764744 0.60
SCHEMBL14905976 0.59 CHRM3 (0.36)
SCHEMBL1716907 0.59 CHRM3 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586402-B1 LH-RH peptide analogues, their uses and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2003-07-01 US disclosed
EP-1117420-B1 PHARMACEUTICAL COMPOSITIONS BASED ON ALPHA-CYCLODEXTRIN FOR THE ORAL ADMINISTRATION OF LH-RH ANALOGUES THERAMEX (MC) 2002-06-05 EP disclosed
EP-0984982-B1 LH-RH PEPTIDE ANALOGUES, THEIR USES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THERAMEX (MC) 2001-08-16 EP disclosed
EP-1117420-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ALPHA-CYCLODEXTRIN FOR THE ORAL ADMINISTRATION OF LH-RH ANALOGUES LABORATOIRE THERAMEX S.A. (MC) 2001-07-25 EP disclosed
EP-0998940-A1 Pharmaceutical compositions based on alpha-cyclodextrin for the oral administration of LH-RH analogues LABORATOIRE THERAMEX (MC) 2000-05-10 EP disclosed
WO-2000018423-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ALPHA-CYCLODEXTRIN FOR THE ORAL ADMINISTRATION OF LH-RH ANALOGUES LABORATOIRE THERAMEX (MC) 2000-04-06 WO disclosed
EP-0984982-A1 LH-RH PEPTIDE ANALOGUES, THEIR USES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2000-03-15 EP disclosed
WO-1998055505-A1 LH-RH PEPTIDE ANALOGUES, THEIR USES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 1998-12-10 WO disclosed
EP-0882736-A1 LH-RH peptide analogues, their uses and pharmaceutical compositions containing them LABORATOIRE THERAMEX S.A. (MC) 1998-12-09 EP disclosed