⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL513426 | 0.97 | — | — | |
| Bromide SCHEMBL8553231 | 0.94 | — | — | |
| Iodide SCHEMBL6046240 | 0.94 | — | — | |
| Water SCHEMBL7735109 | 0.94 | — | — | |
| Carbon Monoxide SCHEMBL3289966 | 0.89 | — | — | |
| Formaldehyde SCHEMBL27863767 | 0.89 | — | — | |
| Perchlorate SCHEMBL9692255 | 0.83 | — | — | |
| SCHEMBL29002347 | 0.83 | — | — | |
| SCHEMBL1450515 | 0.79 | — | — | |
| SCHEMBL6266286 | 0.78 | — | — |
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-6995267-B2 | Method for producing cyclopentadiene compounds | BASELL POLYOLEFINE GMBH (DE) | 2006-02-07 | — | — | US | disclosed |
| US-20040097749-A1 | Method for producing cyclopentadiene compounds | EQUISTAR CHEMICALS, LP | 2004-05-20 | — | — | US | disclosed |