⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28180890 | 0.88 | — | — | |
| Butane SCHEMBL214955 | 0.88 | — | — | |
| Butane SCHEMBL16735396 | 0.85 | ABCB11 (0.38) | — | |
| Butane SCHEMBL48604 | 0.85 | — | — | |
| Butane SCHEMBL11815713 | 0.85 | — | — | |
| Butane SCHEMBL48549 | 0.85 | — | — | |
| Butane SCHEMBL2021128 | 0.85 | — | — | |
| Butane SCHEMBL714096 | 0.85 | — | — | |
| Butane SCHEMBL20610731 | 0.85 | ABCB11 (0.38) | — | |
| Butane SCHEMBL8003180 | 0.85 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101006114-B | Polymerisable composition containing an odour masking agent and a perfume, an optical lens and a production method | ESSILOR INT | 2011-09-21 | — | — | CN | disclosed |
| CN-101006114-A | Polymerisable composition containing an odour masking agent and a perfume, an optical lens and a production method | ESSILOR INT (FR) | 2007-07-25 | — | — | CN | disclosed |