⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3890641 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL557255 | 0.85 | — | — | |
| SCHEMBL818544 | 0.85 | — | — | |
| SCHEMBL30279856 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL74467 | 0.74 | — | — | |
| SCHEMBL27258999 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL27530575 | 0.74 | — | — | |
| SCHEMBL28301900 | 0.74 | — | — | |
| SCHEMBL6567220 | 0.72 | — | — | |
| SCHEMBL6567222 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428864-A | Polymer, moulding material and resin-formed body | 日本瑞翁株式会社 | 2017-12-01 | — | — | CN | disclosed |
| CN-105917516-A | Non-aqueous electrolyte and non-aqueous electrolyte secondary battery | 株式会社艾迪科 | 2016-08-31 | — | — | CN | disclosed |