⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3771381 | 0.80 | ALDH1A1 (0.54) | — | |
| SCHEMBL7752086 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL7755414 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL7752092 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL1243651 | 0.73 | — | — | |
| SCHEMBL30970936 | 0.73 | — | — | |
| SCHEMBL7752106 | 0.72 | LMNA (0.45) | — | |
| SCHEMBL276400 | 0.71 | — | — | |
| SCHEMBL3390147 | 0.71 | — | — | |
| SCHEMBL7764618 | 0.71 | — | — |
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-112625246-B | Terminally functionalized polymers and related methods | 株式会社普利司通 | 2023-01-10 | — | — | CN | disclosed |