⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9342462 | 0.82 | CA1 (0.35) | — | |
| SCHEMBL30577823 | 0.79 | CA1 (0.33) | — | |
| SCHEMBL29031993 | 0.79 | CA1 (0.33) | — | |
| SCHEMBL29031994 | 0.79 | CA1 (0.33) | — | |
| SCHEMBL25791363 | 0.73 | KIF11 (0.32) | — | |
| SCHEMBL25991368 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL9507060 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL8783285 | 0.71 | — | — | |
| SCHEMBL7592418 | 0.71 | SOS1 (0.38) | — | |
| SCHEMBL17164553 | 0.71 | SMN1; SMN2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0968994-B1 | PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF | UBE INDUSTRIES (JP) | 2002-11-06 | — | — | EP | disclosed |
| US-6307091-B1 | TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. | UBE INDUSTRIES, LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| US-6160171-A | Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same | UBE INDUSTRIES, LTD. (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0968994-A1 | SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES, LTD. (JP) | 2000-01-05 | — | — | EP | disclosed |