⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL859716 | 0.71 | — | — | |
| SCHEMBL1010402 | 0.69 | — | — | |
| SCHEMBL23913163 | 0.67 | — | — | |
| SCHEMBL23913161 | 0.67 | — | — | |
| SCHEMBL31304177 | 0.67 | — | — | |
| SCHEMBL18823044 | 0.61 | — | — | |
| SCHEMBL6153529 | 0.56 | — | — | |
| SCHEMBL7461332 | 0.53 | — | — | |
| SCHEMBL23913655 | 0.53 | — | — | |
| SCHEMBL21148394 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107868061-A | A kind of room temperature ionic liquid containing energy and preparation method thereof | 湖北航天化学技术研究所 | 2018-04-03 | — | — | CN | claimed |
| US-20210317089-A1 | HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-10-14 | — | — | US | disclosed |
| CN-107868061-A | A kind of room temperature ionic liquid containing energy and preparation method thereof | 湖北航天化学技术研究所 | 2018-04-03 | — | — | CN | disclosed |