⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6916454 | 0.94 | — | — | |
| Bromoethane SCHEMBL6914302 | 0.94 | — | — | |
| Bromoethane SCHEMBL9585555 | 0.94 | — | — | |
| Butane SCHEMBL2191135 | 0.82 | — | — | |
| Iodomethane SCHEMBL6917523 | 0.82 | — | — | |
| Bromomethane SCHEMBL6915502 | 0.82 | — | — | |
| SCHEMBL648363 | 0.82 | — | — | |
| SCHEMBL10381944 | 0.82 | — | — | |
| SCHEMBL61348 | 0.82 | — | — | |
| Butane SCHEMBL5143505 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0513157-A1 | FUEL OIL COMPOSITIONS AND ADDITIVES | EXXON CHEMICAL PATENTS INC. (US) | 1992-11-19 | — | — | EP | disclosed |