⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13282666 | 0.82 | — | — | |
| SCHEMBL31742511 | 0.73 | — | — | |
| SCHEMBL12334240 | 0.73 | — | — | |
| SCHEMBL1053840 | 0.73 | — | — | |
| SCHEMBL13714243 | 0.72 | — | — | |
| SCHEMBL24984112 | 0.68 | — | — | |
| SCHEMBL16692403 | 0.68 | LMNA (0.32) | — | |
| SCHEMBL12533148 | 0.68 | — | — | |
| SCHEMBL7072339 | 0.67 | CYP1A2 (0.34) | — | |
| SCHEMBL5263481 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1002786-B1 | Process for the preparation of trifluorobenzoic acids | CLARIANT GMBH (DE) | 2003-06-18 | — | — | EP | disclosed |
| US-6362365-B1 | DEFLUORINATION OF THE TETRAFUOROISOPHALATE DERIVATIVE USING ORGANO ALKYL METALLIC COMPOUND TO ALKYLATE AT THE 6 POSITION AND THEN DECARBOXYLATION | CLARIANT GMBH (DE) | 2002-03-26 | — | — | US | disclosed |