⚠ 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL8433895 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL10976206 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL1 | 0.96 | — | — | |
| Toluene SCHEMBL8824270 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL4535818 | 0.96 | ACHE (1.00) | — | |
| SCHEMBL12344964 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL8938900 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL175861 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL4429042 | 0.96 | ACHE (1.00) | — | |
| SCHEMBL12344943 | 0.96 | ACHE (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105492482-B | Moisture cured composition with improved elongation and tear resistance | 莫门蒂夫性能材料股份有限公司 | 2019-07-09 | — | — | CN | disclosed |