⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29689437 | 0.91 | — | — | |
| SCHEMBL8024463 | 0.91 | — | — | |
| SCHEMBL16460857 | 0.91 | — | — | |
| Fluoride SCHEMBL28220692 | 0.86 | — | — | |
| SCHEMBL9788071 | 0.85 | — | — | |
| Ethylene SCHEMBL438201 | 0.82 | — | — | |
| SCHEMBL2466191 | 0.80 | — | — | |
| Water SCHEMBL639453 | 0.80 | — | — | |
| SCHEMBL4515432 | 0.80 | — | — | |
| Ethane SCHEMBL5052383 | 0.80 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108658624-A | A kind of anti-freeze or automatic de-icing material | 中国科学院化学研究所 | 2018-10-16 | — | — | CN | disclosed |