⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL317126 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL6300349 | 0.70 | — | — | |
| SCHEMBL6840690 | 0.69 | — | — | |
| Ethylene Glycol SCHEMBL9120710 | 0.69 | TSHR (0.36) | — | |
| Trichlorethanol SCHEMBL6751084 | 0.67 | — | — | |
| SCHEMBL1164248 | 0.67 | — | — | |
| SCHEMBL11244700 | 0.67 | — | — | |
| SCHEMBL9865006 | 0.67 | — | — | |
| SCHEMBL9331311 | 0.65 | — | — | |
| SCHEMBL21050609 | 0.65 | — | — |
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 |