⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16543913 | 0.86 | — | — | |
| Chloromethane SCHEMBL8156713 | 0.71 | — | — | |
| SCHEMBL16384685 | 0.70 | — | — | |
| Chloromethane SCHEMBL8156695 | 0.70 | — | — | |
| Chloromethane SCHEMBL8156412 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6651770 | 0.69 | — | — | |
| SCHEMBL12814810 | 0.69 | — | — | |
| SCHEMBL8147763 | 0.69 | — | — | |
| SCHEMBL12815044 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL813888 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0576213-A2 | Process for polymerizing olefins | MITSUBISHI CHEMICAL CORPORATION (JP) | 1993-12-29 | — | — | EP | disclosed |