⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13717449 | 0.76 | — | — | |
| SCHEMBL27267244 | 0.74 | — | — | |
| SCHEMBL31458645 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL27610897 | 0.65 | — | — | |
| SCHEMBL27408179 | 0.65 | — | — | |
| SCHEMBL2198877 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL28116165 | 0.61 | — | — | |
| SCHEMBL24612239 | 0.59 | — | — | |
| SCHEMBL14662005 | 0.59 | — | — | |
| SCHEMBL20509043 | 0.59 | — | — |
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-7572948-B2 | Fulvene purification | CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) | 2009-08-11 | — | — | US | disclosed |
| US-20080287725-A1 | Fulvene purification | CHEVRON PHILLIPS CHEMICAL COMPANY (US) | 2008-11-20 | — | — | US | disclosed |