⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16153001 | 0.92 | — | — | |
| SCHEMBL1461001 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL14739287 | 0.89 | — | — | |
| SCHEMBL28456496 | 0.84 | — | — | |
| SCHEMBL28969828 | 0.81 | SLC6A2 (0.33) | — | |
| SCHEMBL1460988 | 0.81 | SLC6A4 (0.31) | — | |
| SCHEMBL1797799 | 0.80 | — | — | |
| SCHEMBL289291 | 0.78 | — | — | |
| SCHEMBL37542 | 0.77 | SLC6A4 (0.31) | — | |
| SCHEMBL3686367 | 0.77 | SLC6A4 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0557836-B1 | Polystyrene-based Resin composition | IDEMITSU KOSAN CO (JP) | 1998-07-08 | — | — | EP | disclosed |
| US-5270353-A | Styrene-based polymer, filler | IDEMITSU KOSAN CO., LTD. (JP) | 1993-12-14 | — | — | US | disclosed |
| EP-0557836-A2 | Resin composition | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1993-09-01 | — | — | EP | disclosed |