⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7008716 | 0.78 | — | — | |
| SCHEMBL7009420 | 0.73 | PDCD1 (0.35) | — | |
| SCHEMBL7003496 | 0.73 | — | — | |
| SCHEMBL7009743 | 0.68 | — | — | |
| SCHEMBL27576058 | 0.65 | MAPT (0.41) | — | |
| SCHEMBL1507320 | 0.64 | PDCD1 (0.35) | — | |
| SCHEMBL5599459 | 0.62 | DHFR (0.41) | — | |
| SCHEMBL5031530 | 0.62 | CYP1A2 (0.48) | — | |
| SCHEMBL5034594 | 0.61 | PARP1 (0.38) | — | |
| SCHEMBL1933629 | 0.60 | NR4A1 (0.44) | — |
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-1311593-A2 | POLYPROPYLENE FILMS | Exxonmobil Chemical Patents Inc. (US) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002016480-A2 | POLYPROPYLENE FILMS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-02-28 | — | — | WO | disclosed |