⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6672780 | 0.78 | — | — | |
| SCHEMBL4948524 | 0.76 | — | — | |
| SCHEMBL15915229 | 0.76 | — | — | |
| SCHEMBL7538772 | 0.76 | — | — | |
| SCHEMBL7537193 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL618323 | 0.74 | — | — | |
| SCHEMBL818476 | 0.74 | — | — | |
| SCHEMBL6672569 | 0.74 | FFAR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5998905 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL647186 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996013531-A1 | PREPARATION OF MODIFIED POLYOLEFIN CATALYSTS AND IN SITU PREPARATION OF SUPPORTED METALLOCENE AND ZIEGLER-NATTA/METALLOCENE POLYOLEFIN CATALYSTS | W.R. GRACE & CO.-CONN. (US) | 1996-05-09 | — | — | WO | claimed |
| WO-1996013531-A1 | PREPARATION OF MODIFIED POLYOLEFIN CATALYSTS AND IN SITU PREPARATION OF SUPPORTED METALLOCENE AND ZIEGLER-NATTA/METALLOCENE POLYOLEFIN CATALYSTS | W.R. GRACE & CO.-CONN. (US) | 1996-05-09 | — | — | WO | disclosed |