⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32816 | 0.78 | — | — | |
| SCHEMBL6536228 | 0.78 | — | — | |
| Fluoromethane SCHEMBL18282340 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL28838 | 0.74 | — | — | |
| Ether SCHEMBL21932557 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL738583 | 0.71 | — | — | |
| Hexane SCHEMBL6860855 | 0.67 | TSHR (0.41) | — | |
| Pentane SCHEMBL6862649 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL4199840 | 0.67 | — | — | |
| SCHEMBL6972320 | 0.65 | CA12 (0.35) | — |
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-113350730-B | Lithium ion battery extinguishing agent and preparation method and application thereof | 深圳供电局有限公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-113350730-A | Lithium ion battery extinguishing agent and preparation method and application thereof | 深圳供电局有限公司 | 2021-09-07 | — | — | CN | disclosed |