⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20560578 | 0.86 | CA12 (0.33) | — | |
| SCHEMBL20560155 | 0.86 | — | — | |
| SCHEMBL8112444 | 0.85 | ALDH1A1 (0.40) | — | |
| SCHEMBL5488909 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL20560591 | 0.77 | TAS1R3 (0.37) | — | |
| SCHEMBL22262547 | 0.75 | L3MBTL1 (0.33) | — | |
| SCHEMBL4671550 | 0.75 | TAS1R3 (0.32) | — | |
| SCHEMBL17468410 | 0.74 | TDP1 (0.41) | — | |
| SCHEMBL10958493 | 0.72 | TDP1 (0.39) | — | |
| SCHEMBL20560232 | 0.71 | — | — |
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 |
| EP-3404017-A1 | FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF | Nissan Chemical Industries, Ltd. (JP) | 2018-11-21 | — | — | EP | disclosed |