⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5601026 | 0.52 | — | — | |
| SCHEMBL14925893 | 0.50 | — | — | |
| SCHEMBL21410518 | 0.47 | — | — | |
| SCHEMBL17581124 | 0.45 | — | — | |
| SCHEMBL27335425 | 0.45 | — | — | |
| SCHEMBL6285477 | 0.44 | — | — | |
| SCHEMBL22716012 | 0.44 | — | — | |
| SCHEMBL1229156 | 0.43 | KDM4E (0.31) | — | |
| SCHEMBL4400936 | 0.41 | — | — | |
| SCHEMBL9345587 | 0.41 | GAA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1133504-A1 | METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES | Basell Polypropylen GmbH (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000031091-A1 | METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES | BASELL POLYPROPYLEN GMBH (DE) | 2000-06-02 | — | — | WO | disclosed |