⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2935059 | 0.83 | CES2 (0.32) | — | |
| SCHEMBL23118208 | 0.78 | TTR (0.33) | — | |
| SCHEMBL21224952 | 0.78 | CA1 (0.39) | — | |
| SCHEMBL23830130 | 0.78 | CA1 (0.30) | — | |
| SCHEMBL28262181 | 0.74 | TTR (0.47) | — | |
| SCHEMBL19822782 | 0.74 | — | — | |
| SCHEMBL18818950 | 0.73 | — | — | |
| Ethylene Glycol SCHEMBL27733298 | 0.73 | CES2 (0.31) | — | |
| SCHEMBL3058038 | 0.73 | ERN1 (0.39) | — | |
| SCHEMBL29559941 | 0.72 | NOTUM (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8022247-B2 | Process for production of 2,3,4-trifluoro-5-(iodo or bromo)-benzoic acid | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2011-09-20 | — | — | US | disclosed |
| EP-1870392-B1 | PROCESS FOR PRODUCTION OF 2,3,4-TRIFLUORO-5-(IODO OR BROMO)BENZOIC ACID | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2010-06-16 | — | — | EP | disclosed |
| US-20090209785-A1 | Process for Production of 2,3,4-Trifluoro-5-(Iodo or Bromo)-Benzoic Acid | CHUGAI SELYAKU KABUSHIKI KAISHA (JP) | 2009-08-20 | — | — | US | disclosed |
| EP-1870392-A1 | PROCESS FOR PRODUCTION OF 2,3,4-TRIFLUORO-5-(IODO OR BROMO)BENZOIC ACID | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-12-26 | — | — | EP | disclosed |