⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15561643 | 0.77 | — | — | |
| SCHEMBL5030416 | 0.74 | LDHA (0.36) | — | |
| SCHEMBL17956513 | 0.71 | — | — | |
| SCHEMBL151549 | 0.71 | — | — | |
| SCHEMBL20592970 | 0.69 | KMT2A (0.36) | — | |
| Carbamic Acid SCHEMBL8379035 | 0.67 | ACHE (0.37) | — | |
| SCHEMBL31612137 | 0.65 | EGLN1 (0.33) | — | |
| SCHEMBL20467375 | 0.65 | — | — | |
| SCHEMBL11901935 | 0.65 | — | — | |
| SCHEMBL11183566 | 0.64 | — | — |
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-20200262784-A1 | TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-08-20 | — | — | US | disclosed |
| US-10676424-B2 | Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-06-09 | — | — | US | disclosed |
| US-20190016670-A1 | TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2019-01-17 | — | — | US | disclosed |
| US-20170298008-A1 | TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2017-10-19 | — | — | US | disclosed |