⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL140789 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL28545906 | 0.76 | — | — | |
| SCHEMBL6595292 | 0.76 | — | — | |
| SCHEMBL8506293 | 0.76 | — | — | |
| Acetaldehyde SCHEMBL29068861 | 0.75 | — | — | |
| Acetone SCHEMBL9501103 | 0.75 | LMNA (0.46) | — | |
| SCHEMBL949352 | 0.75 | — | — | |
| SCHEMBL6263467 | 0.75 | — | — | |
| Formaldehyde SCHEMBL3375178 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL1250876 | 0.70 | — | — |
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-102762500-A | Surface-treated calcium carbonate and paste-like resin composition containing same | SHIRAISHI KOGYO KAISHA LTD | 2012-10-31 | — | — | CN | disclosed |