⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2152789 | 0.93 | BRD4 (0.32) | — | |
| SCHEMBL31425741 | 0.93 | BRD4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3202654 | 0.92 | BRD4 (0.31) | — | |
| Chloromethane SCHEMBL3811082 | 0.91 | BRD4 (0.31) | — | |
| SCHEMBL6435009 | 0.90 | BRD4 (0.30) | — | |
| SCHEMBL14054452 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL6056096 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL18575662 | 0.85 | — | — | |
| SCHEMBL6056138 | 0.84 | — | — | |
| SCHEMBL5906866 | 0.84 | MAOB (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 |
|---|---|---|---|---|---|---|---|
| US-6995279-B2 | Metallocene compounds, processes for the production of olefin polymers using catalysts containing the compounds, and olefin polymers produced by the processes | CHISSO CORPORATION (JP) | 2006-02-07 | — | — | US | disclosed |
| US-20040127731-A1 | Metallocene compounds, processes for the production of olefin polymers using catalysts containing the compounds, and olefin polymers produced by the processes | CHISSO CORPORATION (JP) | 2004-07-01 | — | — | US | disclosed |