⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3628993 | 0.80 | — | — | |
| SCHEMBL31038540 | 0.78 | — | — | |
| SCHEMBL12146498 | 0.76 | — | — | |
| SCHEMBL27617620 | 0.72 | — | — | |
| SCHEMBL131047 | 0.72 | — | — | |
| SCHEMBL27833979 | 0.70 | — | — | |
| SCHEMBL25403709 | 0.68 | — | — | |
| Formaldehyde SCHEMBL7754402 | 0.67 | ALDH1A1 (0.47) | — | |
| SCHEMBL7317564 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL5730957 | 0.67 | HIF1A (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 |
|---|---|---|---|---|---|---|---|
| US-5329033-A | Metallocene catalyst, indene containing ligands, alumoxane cocatalyst | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-07-12 | — | — | US | disclosed |
| US-5278264-A | Catalytic polymerizing in presence of a transition metal metallocene | HOECHST AG (DE) | 1994-01-11 | — | — | US | disclosed |