⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9682954 | 0.86 | — | — | |
| SCHEMBL16714230 | 0.82 | — | — | |
| SCHEMBL28515440 | 0.78 | MAPT (0.34) | — | |
| SCHEMBL2616703 | 0.77 | NOS3 (0.31) | — | |
| SCHEMBL896888 | 0.75 | CA12 (0.35) | — | |
| SCHEMBL35515 | 0.75 | CA12 (0.35) | — | |
| SCHEMBL5181979 | 0.75 | TSHR (0.31) | — | |
| Carbamic Acid SCHEMBL28155477 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL22551142 | 0.74 | CA12 (0.34) | — | |
| SCHEMBL679996 | 0.74 | CA12 (0.38) | — |
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-20190133926-A1 | Burn Pill Pharmaceutical Smoking Cylinder | JACKSON TREMAINE (US) | 2019-05-09 | — | — | US | disclosed |