⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4275883 | 0.83 | S100A4 (0.33) | — | |
| SCHEMBL3354011 | 0.83 | S100A4 (0.33) | — | |
| SCHEMBL4063433 | 0.75 | MITF (0.31) | — | |
| SCHEMBL4313980 | 0.68 | S100A4 (0.30) | — | |
| SCHEMBL4323899 | 0.68 | S100A4 (0.30) | — | |
| SCHEMBL6445041 | 0.68 | S100A4 (0.30) | — | |
| SCHEMBL7645540 | 0.68 | CYP2D6 (0.33) | — | |
| SCHEMBL4062476 | 0.68 | CYP2D6 (0.33) | — | |
| SCHEMBL4054488 | 0.68 | MAPT (0.34) | — | |
| SCHEMBL1531948 | 0.68 | PDCD1 (0.33) | — |
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-1313782-A1 | POLYPROPYLENE POLYMERS | Exxonmobil Chemical Patents Inc. (US) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002016455-A1 | POLYPROPYLENE POLYMERS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-02-28 | — | — | WO | disclosed |