⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9073428 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL9153459 | 0.93 | — | — | |
| SCHEMBL11762458 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL28435678 | 0.69 | — | — | |
| SCHEMBL10777441 | 0.69 | — | — | |
| SCHEMBL9626215 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8767479 | 0.67 | — | — | |
| SCHEMBL5322732 | 0.67 | — | — | |
| SCHEMBL27452643 | 0.67 | — | — | |
| SCHEMBL2671575 | 0.65 | — | — |
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-111433231-B | Method for producing styrene resin and styrene resin molded body | 出光兴产株式会社 | 2024-07-16 | — | — | CN | disclosed |