⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL77435 | 0.96 | — | — | |
| SCHEMBL9115247 | 0.93 | — | — | |
| SCHEMBL11261794 | 0.93 | — | — | |
| SCHEMBL28831575 | 0.93 | — | — | |
| SCHEMBL7162000 | 0.93 | — | — | |
| SCHEMBL31023748 | 0.93 | — | — | |
| SCHEMBL9810989 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL11109028 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL11560599 | 0.93 | — | — | |
| Phosphine SCHEMBL28078585 | 0.93 | — | — |
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-107245142-B | Polycarbonate polyol and preparation method and application thereof | 长兴化学工业(中国)有限公司 | 2019-12-31 | — | — | CN | disclosed |