⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28608010 | 0.62 | — | — | |
| SCHEMBL11698152 | 0.61 | — | — | |
| SCHEMBL13995786 | 0.59 | PTPN1 (0.33) | — | |
| SCHEMBL17710635 | 0.56 | — | — | |
| SCHEMBL6557553 | 0.55 | ALDH1A1 (0.33) | — | |
| SCHEMBL5606210 | 0.55 | ALDH1A1 (0.33) | — | |
| SCHEMBL10825605 | 0.54 | — | — | |
| SCHEMBL11813551 | 0.51 | — | — | |
| SCHEMBL12693418 | 0.50 | — | — | |
| SCHEMBL14533325 | 0.50 | — | — |
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-1155073-A1 | PLASTIC MOULDING MATERIALS WHICH CAN BE DETECTED BY X-RAY CONTRAST | Bayer Aktiengesellschaft (DE) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000036002-A1 | PLASTIC MOULDING MATERIALS WHICH CAN BE DETECTED BY X-RAY CONTRAST | BAYER AKTIENGESELLSCHAFT (DE) | 2000-06-22 | — | — | WO | disclosed |