SCHEMBL345040

SCHEMBL345040

CC(C)(O)C(C)(C)O.CC(C)=CB(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
SCHEMBL734381 0.84
SCHEMBL1986484 0.75
Boric Acid SCHEMBL28285073 0.69 THRB (0.43)
Boric Acid SCHEMBL4139673 0.69 THRB (0.43)
Boric Acid SCHEMBL4976220 0.69 THRB (0.43)
Boric Acid SCHEMBL594481 0.69 THRB (0.43)
Boric Acid SCHEMBL17962526 0.69 THRB (0.43)
Boric Acid SCHEMBL474845 0.69 THRB (0.43)
SCHEMBL17421860 0.69 THRB (0.32)
SCHEMBL405839 0.69 THRB (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889702-B2 Derivatives of azaspiranyl-alkylcarbamates of 5-member heterocyclic compounds, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-11-18 US disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 US disclosed