⚠ 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 | |
|---|---|---|---|---|
| Ethyl Chloride SCHEMBL11768564 | 0.79 | — | — | |
| Chloromethane SCHEMBL11544846 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL315508 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL11314080 | 0.77 | ALDH1A1 (0.36) | — | |
| Ethyl Chloride SCHEMBL9815406 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL28170105 | 0.74 | CYP3A4 (0.32) | — | |
| SCHEMBL28849492 | 0.74 | LMNA (0.34) | — | |
| Ethyl Chloride SCHEMBL11768385 | 0.74 | — | — | |
| Ethyl Chloride SCHEMBL11771514 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL12274615 | 0.73 | — | — |
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-105593422-A | Fire resistant panel and methods of fire blocking an article | DREAMWELL LTD | 2016-05-18 | — | — | CN | disclosed |