⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10896522 | 0.60 | — | — | |
| SCHEMBL10891715 | 0.59 | — | — | |
| SCHEMBL17120323 | 0.54 | — | — | |
| SCHEMBL29324045 | 0.54 | — | — | |
| SCHEMBL978975 | 0.54 | — | — | |
| SCHEMBL29807506 | 0.54 | — | — | |
| SCHEMBL10893686 | 0.53 | — | — | |
| SCHEMBL10704030 | 0.49 | — | — | |
| SCHEMBL14060759 | 0.47 | LMNA (0.36) | — | |
| SCHEMBL10177686 | 0.41 | — | — |
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-109970771-B | Polyetherchain-substituted alkynyl gold (I) complex and preparation method and application thereof | 云南大学 | 2021-07-13 | — | — | CN | disclosed |