⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28966099 | 0.71 | — | — | |
| SCHEMBL4905233 | 0.67 | — | — | |
| SCHEMBL7014946 | 0.65 | — | — | |
| SCHEMBL7014949 | 0.65 | — | — | |
| SCHEMBL8150548 | 0.62 | — | — | |
| SCHEMBL11294585 | 0.62 | — | — | |
| SCHEMBL9951608 | 0.59 | — | — | |
| SCHEMBL23152459 | 0.57 | — | — | |
| SCHEMBL1171478 | 0.57 | — | — | |
| SCHEMBL2997655 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-11124348-A | — | — | None | — | — | JP | disclosed |
| CN-106575737-B | The porous film composition of lithium ion secondary battery, lithium ion secondary battery perforated membrane and lithium ion secondary battery | 日本瑞翁株式会社 | 2019-06-28 | — | — | CN | disclosed |
| JP-H11124348-A | PRODUCTION OF TRIMETHYLOLALKANE | KOEI CHEM CO LTD | 1999-05-11 | — | — | JP | disclosed |