⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64958 | 1.00 | — | — | |
| SCHEMBL7602 | 1.00 | — | — | |
| SCHEMBL8208266 | 0.93 | — | — | |
| Fluoride SCHEMBL21834012 | 0.93 | — | — | |
| SCHEMBL5351998 | 0.93 | TSHR (0.30) | — | |
| Fluoride SCHEMBL23673680 | 0.93 | — | — | |
| Iodide SCHEMBL1198681 | 0.93 | — | — | |
| Water SCHEMBL8946260 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL11136564 | 0.93 | — | — | |
| SCHEMBL28390553 | 0.93 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150239796-A1 | ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE | UNIVERSITY OF OSLO (NO) | 2015-08-27 | — | — | US | disclosed |