⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL28376866 | 0.85 | CHRM2 (0.31) | — | |
| Butane SCHEMBL10807148 | 0.85 | CHRM2 (0.31) | — | |
| Alcohol SCHEMBL11829915 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL18960 | 0.80 | — | — | |
| SCHEMBL656963 | 0.80 | CHRNA7 (0.33) | — | |
| Ether SCHEMBL1542412 | 0.78 | CHRM3 (0.33) | — | |
| Iodomethane SCHEMBL11255462 | 0.78 | — | — | |
| Bromomethane SCHEMBL11249828 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL3390479 | 0.78 | CHRM2 (0.30) | — | |
| Water SCHEMBL5409123 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4338118-A | OF COTTON WITH BICYCLIC QUATERNARY AMMONIUM SALTS | ELI LILLY AND COMPANY (US) | 1982-07-06 | — | — | US | disclosed |