⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7609948 | 0.77 | EPHX1 (0.33) | — | |
| SCHEMBL22654555 | 0.73 | — | — | |
| SCHEMBL138960 | 0.73 | — | — | |
| SCHEMBL27657949 | 0.69 | — | — | |
| SCHEMBL11153068 | 0.69 | — | — | |
| SCHEMBL3459512 | 0.69 | — | — | |
| SCHEMBL18337134 | 0.68 | — | — | |
| SCHEMBL5751012 | 0.68 | PTPN1 (0.33) | — | |
| SCHEMBL7030472 | 0.67 | — | — | |
| SCHEMBL332826 | 0.64 | ACHE (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1294786-A2 | USE OF A POLYMER REACTION PRODUCT | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-26 | — | — | EP | claimed |
| WO-2001096408-A2 | USE OF A POLYMER REACTION PRODUCT | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-20 | — | — | WO | claimed |
| EP-1294786-A2 | USE OF A POLYMER REACTION PRODUCT | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001096408-A2 | USE OF A POLYMER REACTION PRODUCT | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-20 | — | — | WO | disclosed |