SCHEMBL2079155

SCHEMBL2079155

O=C(OC(=O)C(Br)(Br)Br)C(F)(F)F.[KH].[NaH]

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
SCHEMBL28456697 0.84 CA2 (0.33)
SCHEMBL28823736 0.81 CA2 (0.32)
SCHEMBL968943 0.81
SCHEMBL52 0.81 CA2 (0.35)
SCHEMBL27623481 0.81 CA2 (0.35)
Hydrogen Peroxide SCHEMBL2051538 0.78 CA2 (0.33)
SCHEMBL11001716 0.78 CA2 (0.33)
Hydrochloric Acid SCHEMBL8958370 0.78 CA2 (0.33)
SCHEMBL3945657 0.78 CA2 (0.33)
Water SCHEMBL6513542 0.78 CA2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012303-A1 CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES AEROJET FINE CHEMICALS LLC (US) 2009-01-08 US claimed
US-6867311-B2 Clean, high-yield preparation of S,S and R,S amino acid isosteres AEROJET FINE CHEMICALS LLC (US) 2005-03-15 US claimed
US-20030225292-A1 Clean, high-yield preparation of S,S and R,S amino acid isosteres AEROJET FINE CHEMICALS LLC, A DELAWARE LIMITED LIABILITY COMPANY 2003-12-04 US claimed
US-20130116457-A1 CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES AEROJET FINE CHEMICALS LLC (US) 2013-05-09 US disclosed
US-8163933-B2 Clean, high-yield preparation of S,S and R,S amino acid isosteres AMPAC FINE CHEMICALS LLC (US) 2012-04-24 US disclosed
US-20090012303-A1 CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES AEROJET FINE CHEMICALS LLC (US) 2009-01-08 US disclosed
US-7309803-B2 Clean, High-yield preparation of S,S and R,S amino acid isosteres AEROJET FINE CHEMICALS LLC (US) 2007-12-18 US disclosed
US-20050171170-A1 Clean, high-yield preparation of S,S and R,S amino acid isosteres AEROJET FINE CHEMICALS LLC, A DELAWARE LIMITED LIABILITY COMPANY (US) 2005-08-04 US disclosed
US-6867311-B2 Clean, high-yield preparation of S,S and R,S amino acid isosteres AEROJET FINE CHEMICALS LLC (US) 2005-03-15 US disclosed
US-20030225292-A1 Clean, high-yield preparation of S,S and R,S amino acid isosteres AEROJET FINE CHEMICALS LLC, A DELAWARE LIMITED LIABILITY COMPANY 2003-12-04 US disclosed
US-6605732-B1 Clean, high-yield preparation of S,S and R,S amino acid isosteres AEROJET FINE CHEMICALS LLC 2003-08-12 US disclosed
EP-1050532-A2 Preparation of S,S and R,S amino acid isosteres Aerojet Fine Chemicals LLC (US) 2000-11-08 EP disclosed