⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27724513 | 0.74 | CYP2C9 (0.33) | — | |
| SCHEMBL715309 | 0.64 | — | — | |
| SCHEMBL16538797 | 0.63 | — | — | |
| SCHEMBL8773331 | 0.63 | OPRM1 (0.35) | — | |
| SCHEMBL8309865 | 0.61 | — | — | |
| SCHEMBL7541201 | 0.59 | — | — | |
| SCHEMBL6269999 | 0.59 | OPRL1 (0.34) | — | |
| SCHEMBL27906055 | 0.57 | MAOB (0.34) | — | |
| SCHEMBL6152348 | 0.56 | OPRM1 (0.38) | — | |
| SCHEMBL7646216 | 0.55 | OPRM1 (0.41) | — |
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-1242434-A1 | POLYMERIZATION-ACTIVE TRANSITION METAL COMPLEX COMPOUNDS COMPRISING A STERICALLY DEMANDING LIGAND SYSTEM | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001042257-A1 | POLYMERIZATION-ACTIVE TRANSITION METAL COMPLEX COMPOUNDS COMPRISING A STERICALLY DEMANDING LIGAND SYSTEM | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-14 | — | — | WO | disclosed |