⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8732641 | 0.92 | — | — | |
| SCHEMBL7627021 | 0.89 | MAOB (0.34) | — | |
| SCHEMBL4454227 | 0.89 | MAOB (0.34) | — | |
| SCHEMBL7180174 | 0.88 | MAOB (0.37) | — | |
| SCHEMBL7180179 | 0.88 | MAOB (0.37) | — | |
| SCHEMBL7626672 | 0.86 | — | — | |
| SCHEMBL7629051 | 0.86 | NPC1 (0.31) | — | |
| SCHEMBL7669289 | 0.83 | MMP1 (0.33) | — | |
| SCHEMBL7629037 | 0.83 | MAOB (0.33) | — | |
| SCHEMBL5678404 | 0.80 | PDCD1 (0.33) | — |
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-0858462-B1 | SUPPORTABLE BISCYCLOPENTADIENYL METAL COMPLEXES | DOW CHEMICAL CO (US) | 2002-07-03 | — | — | EP | disclosed |
| US-5854362-A | Supported biscyclopentadienyl metal complexes | THE DOW CHEMICAL COMPANY (US) | 1998-12-29 | — | — | US | disclosed |