⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20378 | 0.95 | — | — | |
| SCHEMBL31299613 | 0.91 | — | — | |
| Potassium SCHEMBL31299624 | 0.91 | — | — | |
| SCHEMBL11795560 | 0.91 | — | — | |
| Water SCHEMBL27835182 | 0.91 | — | — | |
| Lithium SCHEMBL31299618 | 0.91 | — | — | |
| Benzene SCHEMBL27579016 | 0.87 | LDHA (0.31) | — | |
| SCHEMBL5473595 | 0.86 | CA1 (0.36) | — | |
| Urea SCHEMBL28200017 | 0.84 | LDHA (0.47) | — | |
| SCHEMBL28182987 | 0.82 | LDHA (0.33) | — |
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-104151894-B | Ultraviolet light polymerization polyacrylate coating used by a kind of pottery | 顾玉奎 | 2016-11-30 | — | — | CN | claimed |