⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7263974 | 0.67 | — | — | |
| SCHEMBL1763099 | 0.67 | — | — | |
| SCHEMBL4323946 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL10722422 | 0.61 | — | — | |
| Methoxymethane SCHEMBL1053247 | 0.59 | — | — | |
| Chloromethane SCHEMBL29071815 | 0.58 | — | — | |
| Chloromethane SCHEMBL774036 | 0.58 | — | — | |
| SCHEMBL1456657 | 0.58 | — | — | |
| SCHEMBL2333079 | 0.55 | — | — | |
| SCHEMBL291956 | 0.55 | — | — |
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-0517317-A1 | Polymer process | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-12-09 | — | — | EP | disclosed |