⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5279252 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL27922015 | 0.71 | — | — | |
| SCHEMBL23888600 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL9215323 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL8763016 | 0.68 | — | — | |
| SCHEMBL6019196 | 0.67 | S1PR1 (0.31) | — | |
| SCHEMBL9687455 | 0.64 | — | — | |
| SCHEMBL30708138 | 0.62 | — | — | |
| SCHEMBL6935722 | 0.62 | — | — | |
| Propanol SCHEMBL27614566 | 0.61 | — | — |
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-114901716-B | Chloroprene block copolymer, latex composition, and rubber composition | 电化株式会社 | 2024-04-26 | — | — | CN | disclosed |