⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9508352 | 1.00 | — | — | |
| SCHEMBL9508326 | 1.00 | — | — | |
| SCHEMBL9508349 | 1.00 | — | — | |
| SCHEMBL9511968 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL9511965 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL9509789 | 0.78 | FAAH (0.36) | — | |
| SCHEMBL9509784 | 0.78 | FAAH (0.36) | — | |
| SCHEMBL9509748 | 0.75 | F7 (0.46) | — | |
| SCHEMBL9509746 | 0.75 | F7 (0.46) | — | |
| Bicarbonate SCHEMBL30475361 | 0.75 | GRIK1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0350334-B1 | A process for producing fluorine-containing compounds | NIPPON MINING CO (JP) | 1993-10-27 | — | — | EP | disclosed |
| US-5126482-A | Process for producing fluorine-containing carboxylic acids | NIPPON MINING CO., LTD. (JP) | 1992-06-30 | — | — | US | disclosed |
| EP-0350334-A2 | A process for producing fluorine-containing compounds | NIKKO KYODO CO., LTD. (JP) | 1990-01-10 | — | — | EP | disclosed |