⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13494532 | 1.00 | — | — | |
| SCHEMBL9821445 | 0.97 | — | — | |
| SCHEMBL19154164 | 0.93 | — | — | |
| SCHEMBL19154230 | 0.93 | — | — | |
| SCHEMBL12227989 | 0.93 | TAS1R3 (0.30) | — | |
| SCHEMBL23963310 | 0.90 | — | — | |
| SCHEMBL19154449 | 0.87 | — | — | |
| SCHEMBL18274989 | 0.86 | — | — | |
| SCHEMBL15892198 | 0.85 | — | — | |
| SCHEMBL23963456 | 0.84 | — | — |
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-3404017-B1 | FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF | NISSAN CHEMICAL IND LTD (JP) | 2020-05-13 | — | — | EP | disclosed |
| US-10336686-B2 | Fluorine atom-containing compound and use thereof | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2019-07-02 | — | — | US | disclosed |
| US-20190031600-A1 | FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2019-01-31 | — | — | US | disclosed |
| WO-2017122649-A1 | FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF | 日産化学工業株式会社 | 2017-07-20 | — | — | WO | disclosed |