⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20560155 | 0.87 | — | — | |
| SCHEMBL20560578 | 0.84 | CA12 (0.33) | — | |
| SCHEMBL20560209 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL28323092 | 0.73 | CA1 (0.40) | — | |
| SCHEMBL20560216 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL20560656 | 0.71 | — | — | |
| SCHEMBL28658043 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL1200400 | 0.68 | VCP (0.40) | — | |
| SCHEMBL18274954 | 0.68 | VCP (0.40) | — | |
| SCHEMBL20560220 | 0.67 | KMT2A (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108698982-B | Fluorine atom-containing compound and use thereof | 日产化学工业株式会社 | 2021-07-16 | — | — | CN | disclosed |
| 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 |
| EP-3404017-A1 | FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF | Nissan Chemical Industries, Ltd. (JP) | 2018-11-21 | — | — | EP | disclosed |