⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6356248 | 0.79 | TP53 (0.33) | — | |
| SCHEMBL5888728 | 0.79 | TP53 (0.33) | — | |
| SCHEMBL8764512 | 0.77 | TP53 (0.32) | — | |
| SCHEMBL8846855 | 0.76 | TP53 (0.31) | — | |
| Hydrochloric Acid SCHEMBL16568993 | 0.76 | CALM1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8380430 | 0.75 | KDM4E (0.31) | — | |
| Bromide SCHEMBL8754835 | 0.75 | TP53 (0.30) | — | |
| SCHEMBL9573662 | 0.73 | TP53 (0.33) | — | |
| SCHEMBL7172955 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL598857 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0492282-B1 | Process for producing a styrene polymer | IDEMITSU KOSAN CO (JP) | 1997-05-14 | — | — | EP | disclosed |
| EP-0492282-A1 | Process for producing a styrene polymer and a catalyst for use therein | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1992-07-01 | — | — | EP | disclosed |