SCHEMBL9808616

SCHEMBL9808616

O=[C]OCOC(=O)C1CCC=CO1

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
SCHEMBL10404054 0.81
SCHEMBL9808623 0.79
SCHEMBL420577 0.78 ALDH1A1 (0.40)
SCHEMBL4304520 0.75 TP53 (0.37)
SCHEMBL9253272 0.72 PPM1B (0.34)
SCHEMBL9253268 0.72
SCHEMBL9808685 0.71
SCHEMBL8034384 0.70 ALDH1A1 (0.39)
SCHEMBL9564946 0.70 LMNA (0.52)
SCHEMBL9257533 0.67

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-0230347-B1 MACROLIDE COMPOUNDS, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-15 EP claimed
US-4912090-A Antiparasitic milbemycin and avermectin derivatives SANKYO COMPANY LIMITED (JP) 1990-03-27 US claimed
EP-0230347-A1 Macrolide compounds, their preparation and use Sankyo Company Limited (JP) 1987-07-29 EP claimed
CN-1021910-C LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-08-25 CN disclosed
US-4912090-A Antiparasitic milbemycin and avermectin derivatives SANKYO COMPANY LIMITED (JP) 1990-03-27 US disclosed
EP-0230347-A1 Macrolide compounds, their preparation and use Sankyo Company Limited (JP) 1987-07-29 EP disclosed